Patents:
7. "Methods of Arene Alkenylation" U. S. Patent Application 17/999,273 (US 2023/0234900 A1) Full patent filed on May 19, 2021 (published Jul. 27, 2023) Gunnoe, T. B., Jia, X., Frye, L.
6. "Catalyst and Methods for Forming Alkenyl and Alkyl Substituted Arenes" U.S. Patent Application 18/163,647 (US 2023/0173476 A1) Full patent application filed on Feb. 2, 2023 (published Jun. 8, 2023) Gunnoe, T. B., Webster-Gardiner, M. S., Vaughn, B. A.
5. "Catalyst and Methods for Forming Alkenyl and Alkyl Substituted Arenes" U.S. Patent Application 17/188,535 (US 2021/0283587 A1) Full patent application filed on Mar. 1, 2021 (published Sept. 16, 2021) Gunnoe, T. B., Webster-Gardiner, M. S., Vaughn, B. A.
4. "Catalytic Synthesis of Super Linear Alkenyl Arenes Using Rhodium Catalysts" U.S. Patent 11,306,041, Schinski, W., Goldman, A., Gunnoe, T. B., Webster-Gardiner, M. S., Schwartz, N. Issued April 19, 2022.
3. "Catalyst and Methods for Forming Alkenyl and Alkyl Substituted Arenes" U.S. Patent 10,967,364 B2, Gunnoe, T. B., Webster-Gardiner, M. S., Vaughn, B. A. Issued April 6, 2021.
2. "Compositions and Methods for Hydrocarbon Functionalization" U.S. Patent US 10,450,259 B2. Gunnoe, T. B., Fortman, G., Boaz, N. C., Groves, J. T. Issued Oct. 22, 2019.
1. "Compositions and Methods for Hydrocarbon Functionalization" U.S. Patent US 9,604,890 B2. Gunnoe, T. B., Fortman, G., Boaz, N. C., Groves, J. T. Issued March 28, 2017.
Publications:
178: "Highly Anti-Markovnikov Selective Oxidative Arene Alkenylation Using Ir(I) Catalyst Precursors and Cu(II) Carboxylates" Ketcham, H.; Zhu, W.; Gunnoe, T. B. Organometallics 2024, 43, 774-786. DOI: 10.1021/acs.organomet.4c00030 (manuscript was selected for the issue cover)
177: “Cleavage of Carbon Dioxide C=O Bond Promoted by Nickel-Boron Cooperativity in a PBP-Ni Complex” Álvarez-Rodríguez, L.; Ríos, P.; Laglera-Gándara, C. J.; Jurado, A.; Fernández-de-Córdova, F. J.; Gunnoe, T. B.; Rodríguez, A. Angew. Chem. Int. Ed. 2023, 62, e202306315. DOI: https://doi.org/10.1002/anie.202306315
176: “Catalytic Precursors for Arene Alkenylation: Comparative Evaluation of Reactivity and Mechanism Based on Experimental and Computational Studies” Bennett, M. T.; Jia, X.; Musgrave, C. B., III; Zhu, W.; Goddard, W. A., III; Gunnoe, T. B. Pd(II) and Rh(I) J. Am. Chem. Soc. 2023, 145, 15507-15527. DOI: 10.1021/jacs.3c04295
175: "Rhodium-Catalyzed Alkenylation of Arenes with Multi-Substituted Olefins: Comparison of Selectivity and Reaction Rate as a Function of Olefin Identity" Bennett, M. T.; Reid, C. W.; Musgrave, C. B., III; Goddard, W. A., III; Gunnoe, T. B. Organometallics 2023. DOI: 10.1021/acs.organomet.3c00073
174. "Partial Oxidation of Methane Enabled by Decatungstate Photocatalysis Coupled to Free Radical Chemistry" Musgrave, C. B., III, Olsen, K., Liebov, N. S., Groves, J. T., Goddard, W. A., III, Gunnoe, T. B. ACS Catal. 2023, 6382-6395. DOI: 10.1021/acscatal.3c00750
173. "Advances in Arene Alkylation and Alkenylation Catalyzed by Transition Metal Complexes Based on Ruthenium, Nickel, Palladium, Platinum, Rhodium and Iridium" Ketcham, H. E., Bennett, M. T., Reid, C. W., Gunnoe, T. B. Adv. Organomet. Chem. 2023, Academic Press. DOI: 10.1016/bs.adomc.2023.01.002
172. "Ethylene Dimerization and Oligomerization Using Bis(phosphino)boryl Supported Ni Complexes" Kong, F., Ríos, P., Hauck, C., Fernández-de-Córdova, F. J., Dickie, D. A., Habgood, L. G., Rodríguez, A., Gunnoe, T. B. J. Am. Chem. Soc. 2023, 145, 179-193. DOI: 10.1021/jacs.2c09471
171. "Capping Arene Ligated Rhodium-Catalyzed Olefin Hydrogenation: A Model Study of the Ligand Influence on a Catalytic Process That Incorporates Oxidative Addition and Reductive Elimination" Zhang, K., Musgrave, C. B., III, Dickie, D. A., Goddard, W. A., III*, Gunnoe, T. B.* Organometallics 2022, 41, 3373-3386. DOI: 10.1021/acs.organomet.2c00317
170. "Cu(II) Carboxylate Arene C–H Functionalization: Tuning for Non-Radical Pathways" Kong, F., Chen, S., Chen, J., Liu, C., Zhu, W., Dickie, D. A., Zhang, S., Ess, D.*, Gunnoe, T. B.* Sci. Adv. 2022, 8, 1-14. DOI: 10.1126/sciadv.add1594
169. "Catalytic Hydrogenolysis of the Pt−OPh Bond of a Molecular Pt(II) Complex using Silica Supported Pd, Rh and Pt Nanoparticles" Luo, Z., Xie, J., Kaylor, N., Dickie, D. A., Ketcham, H. E., Davis, R. J.*, Gunnoe, T. B.* ChemCatChem 2022. DOI: 10.1002/cctc.202200582
168. "Reaction Mechanism Underlying Pd(II)-Catalyzed Oxidative Coupling of Ethylene and Benzene to Form Styrene: Identification of a Cyclic Mono-PdII Bis-CuII Complex as the Active Catalyst" Musgrave III, C. B., Bennett, M. T., Ellena, J. F., Dickie, D. A. Gunnoe, T. B.*, Goddard III, W. A.*Organometallics 2022, 41, 1988–2000 DOI: 10.1021/acs.organomet.2c00183
167. "Electron-Deficient Ru(II) Complexes as Catalyst Precursors for Ethylene Hydrophenylation" Jia, X., Tian, S., Shivokevich, P. J., Harman, W. D., Dickie, D. A., Gunnoe, T. B.* Inorganics 2022, 10(6), 76 DOI: 10.3390/inorganics10060076
166. "Manganese Catalyzed Partial Oxidation of Light Alkanes" Coutard, N. Musgrave III, C. B., Moon, J., Liebov, N. S., Nielsen, R. M., Goldberg, J. M., Li, M., Jia, X., Lee, S., Dickie, D. A., Schinski, W. L. Wu, Z., Groves, J. T., Goddard III, W. A.*, Gunnoe, T. B.* ACS Catal. 2022, 12(9), 5356–5370 DOI: 10.1021/acscatal.2c00982
165. "Aerobic Partial Oxidation of Alkanes using Photo-driven Iron Catalysis" Coutard, N., Goldberg, J. M., Valle, H. U., Cau, Y., Jia, X., Jeffrey, P. D., Gunnoe, T. B.*, Groves, J. T.* Inorg. Chem. 2022, 61, 759-766. DOI: 10.1021/acs.inorgchem.1c03086 (paper selected as a Feature Article by Inorg. Chem.)
164. "Immobilization of "Capping Arene" Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation" Liu, C., Geer, A. M., Webber, C., Musgrave III, C. B., Gu, S., Johnson, G., Dickie, D. A., Chabbra, S., Schnegg, A., Zhou, H., Sun, C.-J., Hwang, S., Goddard III, W. A.*, Zhang, S.*, Gunnoe, T. B.* ACS Catal. 2021, 11, 15068-15082. DOI: 10.1021/acscatal.1c04617
163. "Rhodium and Iridium Complexes Bearing "Capping Arene" Ligands: Synthesis and Characterization" Gu, S., Musgrave III, C. B., Gehman, Z. M., Zhang, K., Dickie, D. A., Goddard III*, W. A., Gunnoe, T. B.* Organometallics 2021, 40, 2808-2825. DOI: 10.1021/acs.organomet.1c00250
162. "Non-covalent Immobilization of Pentamethylcyclopentadienyl Iridium Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation" Geer, A. M., Liu, C., Musgrave, C., Webber, C., Johnson, G., Zhou, H., Sun, C-J., Dickie, D. A., Goddard III, W. A.*, Zhang, S.*, Gunnoe, T. B.* Small Science 2021, 1, 2100037, 1-12. DOI: 10.1002/smsc.202100037 (manuscript was selected for the issue cover)
161. "Electrocatalytic Water Oxidation by a Trinuclear Copper(II) Complex" Geer, A. M., Musgrave C., Webber, C., Nielsen, R. J., McKeown, B. A., Liu, C., Schleker, P. P. M., Jakes, P., Jia, X., Dickie, D. A., Granwehr, J., Zhang, S., Machan, C. W., Goddard III, W. A., Gunnoe, T. B. ACS Catalysis 2021, 11, 7223-7240. DOI: 10.1021/acscatal.1c01395
160. "Functionalization of RhIII–Me Bonds: Use of "Capping Arene" Ligands to Facilitate Me–X Reductive Elimination" Gu, S., Chen, J. Musgrave III, C. B., Gehman, Z. M., Habgood, L. G., Jia, X., Dickie, D. A., Goddard III*, W. A., Gunnoe*, T. B. Organometallics 2021, 40, 1889-1906. DOI: 10.1021/acs.organomet.1c00223 (paper selected as cover issue, (selected as a cover feature, listed as a "Top 3 most read" manuscript for the month and "Super Seven" as the fifth most read manuscript for the 2021 year)
159. "Advances in Group 10 Transition Metal-Catalyzed Arene Alkylation and Alkenylation" Zhu, W., Gunnoe, T. B.* J. Am. Chem. Soc. 2021, 143, ASAP. DOI: 10.1021/jacs.1c01810
158. "Mechanistic Studies of Styrene Production from Benzene and Ethylene using [Rh(μ-OAc)(h2-C2H4)2]2 as Catalyst Precursor: Identification of a Bis-RhI Mono-CuII Complex as Catalyst" Musgrave III, C. B., Zhu, W., Coutard, N., Ellena, J. F., Dickie, D. A., Gunnoe, T. B.*, Goddard III*, W. A. ACS Catal. 2021, 11, 5688-5702. DOI: 10.1021/acscatal.1c01203
157. "Reductive C–C coupling from Molecular Au(I) Hydrocarbyl Complexes: A Mechanistic Study" Mirando-Pizarro, J., Luo, Z., Moreno, J. J., Dickie, D. A., Campos, J.*, Gunnoe, T. B.* J. Am. Chem. Soc. 2021, 143, 2509-2522. DOI: 10.1021/jacs.0c11296
156. "Oxidative Alkenylation of Arenes Using Supported Rh Materials: Evidence that Active Catalysts are Formed by Rh Leaching" Luo, Z., Whitcomb, C., Kaylor, N., Zhang, Y., Zhang, S., Davis, R. J.*, Gunnoe, T. B* ChemCatChem 2021, 13, 260-270. DOI: 10.1002/cctc.202001526
155. "Role of Axial Ligation in Gating the Reactivity of Dimethylplatinum(III) Diimine Radical Cations" Huffman, B. L., Lee, K., Geer, A. M., McKeown, B. A., Jia, X., Dickie, D. A., Gunnoe, T. B.*, Dempsey, J. L.* Organometallics 2021, 40, 333-345. DOI: 10.1021/acs.organomet.0c00663
154. "Oxygen Evolution Reaction over Catalytic Single-Site Co in Well-Defined Brookite TiO2 Nanorod Surface: Experiment with Quantum Mechanics Validation" Liu, C., Qian, J., Ye, Y., Zhou, H., Sun, C.-J., Sheehan, C., Zhang, Z., Wan, G., Liu, Y.-S., Guo, J., Li, S., Hwang, S., Gunnoe, T. B., Goddard III, W. A.*, Zhang, S.* Nat. Catal. 2021, 4, 36-45. DOI: 10.1038/s41929-020-00550-5
153. "Transition Metal-Catalyzed Arene Alkylation and Alkenylation: Catalytic Processes for the Generation of Chemical Intermediates" Gunnoe, T. B.*, Schinski, W. L.*, Jia, X. ACS Catal. 2020, 10, 14080-14092. DOI: 10.1021/acscatal.0c03494
152. "Effects of Additives on Catalytic Arene C–H Activation: Study of Rh Catalysts Supported by Bis-phosphine Pincer Ligands" Kong, F., Gu, S., Liu, C., Dickie, D. A., Zhang, S., Gunnoe, T. B.* Organometallics 2020, 39, 3918-3935. DOI: 10.1021/acs.organomet.0c00623
151. "Rhodium-Catalyzed Arene Alkenylation Using Only Dioxygen as Oxidant" Zhu, W., Gunnoe, T. B.* ACS Catal. 2020, 10, 11519-11531. DOI: 10.1021/acscatal.0c03439
150. "Synthesis of Stilbenes by Rhodium-Catalyzed Aerobic Alkenylation of Arenes via C–H Activation" Jia, X., Frye, L. I., Zhu, W., Gu S., Gunnoe, T. B.* J. Am. Chem. Soc. 2020, 142, 10534-10543. DOI: 10.1021/jacs.0c03935
149. "Use of Ligand Steric Properties to Control the Thermodynamics and Kinetics of Oxidative Addition and Reductive Elimination with Pincer-ligated Rh Complexes" Gu, S., Nielsen, R. J.*, Taylor, K. H., Fortman, G. C., Chen, J., Dickie, D. A., Goddard III, W. A.*, Gunnoe, T. B.* Organometallics, 2020, 39, 1917-1933. DOI: 10.1021/acs.organomet.0c00122 (list of "Most Read Articles" for Organometallics)
148. "Advances in Rhodium Catalyzed Oxidative Arene Alkenylation" Zhu, W., Gunnoe, T. B.* Acc. Chem. Res. 2020, 53, 920-936. DOI: 10.1021/acs.accounts.0c00036
147. "Generalized Synthetic Strategy for Transition Metal Doped Brookite-Phase TiO2 Nanorods" Zhang, Z., Wu, Q., Johnson, G., Ye, Y., Li, X., Li, N., Cui, M., Lee, J., Liu, C., Zhao, S., Li, S., Orlov, A., Murray, C. B., Zhang, X., Gunnoe, T. B., Su, D., Zhang, S.* J. Am. Chem. Soc. 2019, ASAP. DOI: 10.1021/jacs.9b06389
146. "Rhodium-Catalyzed Alkenylation of Toluene using 1-Pentene: Regioselectivity to Generate Precursors for Bicyclic Compounds" Liebov, N. S., Zhu, W., Chen, J., Webster-Gardiner, M. S., Schinski, W. L., Gunnoe, T. B.* Organometallics 2019, 38, 3860-3870. DOI: 10.1021/acs.organomet.9b00535
145. "Selective Photo-oxygenation of Light Alkanes using Iodine Oxides and Chloride" Liebov, N. S., Goldberg, J. M., Boaz, N. C., Coutard, N., Kalman, S. E., Zhuang, T., Groves, J. T.*, Gunnoe, T. B.* ChemCatChem 2019, 11, 1-11. DOI: 10.1002/cctc.201901175
144. "Styrene Production from Benzene and Ethylene Catalyzed by Palladium(II): Enhancement of Selectivity towards Styrene via Temperature Dependent Vinyl Ester Consumption" Jia, X., Foley, A. M., Liu, C., Vaughan, B. A., McKeown, B. A., Zhang, S., Gunnoe, T. B.* Organometallics 2019, 38, 3532-3541. DOI: 10.1021/acs.organomet.9b00349 (manuscript was selected for the issue cover)
143. "Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period" Zhu, W., Luo, Z., Chen, J., Liu, C., Yang, L., Dickie, D. A., Liu, N., Zhang, S., Davis, R. J., Gunnoe, T. B.* ACS Catalysis 2019, 9, 7457-7475. DOI: 10.1021/acscatal.9b01480
142. "DFT Mechanistic Study of Methane Mono-Esterification by Hypervalent Iodine Alkane Oxidation Process" Fu, R., Nielsen, R. J., Liebov, N. S., Goddard III, W. A.*, Gunnoe, T. B., Groves, J. T. J. Phys. Chem. C 2019, 123, 15674-15684. DOI: 10.1021/acs.jpcc.9b04239
141. "Insights into the Speciation of Cu in the Cu-H-Mordenite Catalyst for the Oxidation of Methane to Methanol" Brezicki, G., Kammert, J. D., Gunnoe, T. B., Paolucci, C. Davis, R. J.* ACS Catalysis 2019, 9, 5308–5319. DOI: 10.1021/acscatal.9b00852
140. "High Selectivity Towards Formate Production by Electrochemical Reduction of Carbon Dioxide at Copper-Bismuth Dendrites" Hoffman, Z. B., Gray, T. S., Xu, Y., Lin, Q., Gunnoe, T. B., Zangari, G.* ChemSusChem. 2019, 12, 231-239. DOI: 10.1002/cssc.201801708
139. "Catalytic Synthesis of Super Linear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a "Capping Arene" Ligand: Access to Aerobic Catalysis" Chen, J., Nielsen, R. J.*, Goddard III, W. A., McKeown, B. A., Dickie, D. A., Gunnoe, T. B.* J. Am. Chem. Soc. 2018, 140, 17007-17018. DOI: 10.1021/jacs.8b07728
138. "Mechanism of Hydrocarbon Functionalization by an Iodate/Chloride System: The Role of Ester Protection" Schwartz, N. A., Boaz, N. C., Kalman, S. E., Zhuang, T., Goldberg, J. M., Fu, R., Nielsen, R. J., Goddard III, W. A., Groves, J. T.*, Gunnoe, T. B.,* ACS Catalysis 2018 8, 3138-3149. DOI: 10.1021/acscatal.7b04397
137. "Oxidative Hydrophenylation of Ethylene Using a Cationic Ru(II) Catalyst: Styrene Production with Ethylene as the Oxidant" Jia, X., Gary, J. B., Gu, S., Cundari, T. R.*, Gunnoe, T. B.* Isr. J. Chem. 2017, 57, 1037-1046 (invited contribution for special issue dedicated to Professor Robert Bergman on occasion of Wolf Award). DOI: 10.1002/ijch.201700099
136. "Electrochemical Reduction of Carbon Dioxide to Syngas and Formate on Dendritic Copper-Indium Electrocatalysts" Hoffman, Z. B., Gray, T. S., Moraveck, K. B., Gunnoe, T. B., Zangari, G.* ACS Catalysis 2017, 7, 5381–5390. DOI: 10.1021/acscatal.7b01161.
135. "Studies of the Decomposition of the Ethylene Hydrophenylation Catalyst TpRu(CO)(NCMe)Ph" Joslin, E. E., McKeown, B. A., Cundari, T. R., Gunnoe, T. B.* Invited manuscript accepted J. Organomet. Chem. 2017 847, 289-293 (invited contribution to special issue dedicated to Professor John Gladysz "Organometallic Chemistry: from Stereochemistry to Catalysis to Nanochemistry"). https://doi.org/10.1016/j.jorganchem.2017.03.051.
134. "Catalytic synthesis of "super" linear alkenyl arenes using an easily prepared Rh(I) catalyst" Webster-Gardiner, M. S., Chen, J., Vaughan, B. A., McKeown, B. A., Schinski, W., Gunnoe, T. B.* J. Am. Chem. Soc. 2017 139, 5474-5480. DOI: 10.1021/jacs.7b01165. This manuscript was highlighted in Chemical and Engineering News 2017, 95(17), 8.
133. "Brønsted Acid-Catalyzed Intramolecular Hydroamination of Unactivated Alkenes: Metal Triflates as an in situ source of Triflic Acid" Chen, J., Goforth, S. K., McKeown, B. A., Gunnoe, T. B.* Dalton Transactions 2017, 46, 2884-2891. DOI: 10.1039/C6DT04710F
132. "Mechanistic Studies of Single-Step Styrene Production Using a Rhodium(I) Catalyst" Vaughan, B. A., Khani, S. K., Gary, J. B., Kammert, J. D., Webster-Gardiner, M. S., McKeown, B. A., Davis. R. J., Cundari, T. R.*, Gunnoe, T. B.* J. Am. Chem. Soc. 2017, 139, 1485-1498. DOI: 10.1021/jacs.6b10658
131. "Electrophilic RhI Catalysts for Arene C–H Activation: Electrophilic Aromatic Substitution Mechanism" Webster-Gardiner, M. S., Piszel, P. E., Fu, R., McKeown, B. A., Nielsen, R. J., Goddard III, W. A.*, Gunnoe, T. B.* J. Mol. Catal. 2017, 426, 381-388 (special issue "C–H Functionalization in Modern Molecular Catalysis" dedicated to Professor Georgiy B. Shul’pin). DOI: doi.org/10.1016/j.molcata.2016.07.045
130. "Aerobic Epoxidation of Olefin by Platinum Catalysts Supported on Mesoporous Silica Nanoparticles" Munz, D., Wang, D., Moyer, M. M., Webster-Gardiner, M. S., Kunal, P., Watts, D., Trewyn, B. G.*, Vedernikov, A. N.*, Gunnoe, T. B.* ACS Catalysis 2016, 6, 4584–4593. DOI: 10.1021/acscatal.6b01532
129. "Transition-Metal-Mediated Nucleophilic Aromatic Substitution with Acids" O'Reilly, M. A., Johnson, S. I., Nielsen, R. J., Goddard III, W. A.*, Gunnoe, T. B.* Organometallics 2016, 35, 2053-2056.135. DOI: 10.1021/acs.organomet.6b00285
128. "Combined Furan C–H Activation and Furyl Ring-Opening by an Iron(II) Complex" Taylor, K. H., Kalman, S. E., Gunnoe, T. B.*, Sabat, M. Organometallics, 2016, 2296-2311 DOI.org/10.1021/acs.organomet.6b00276
127. "Transition Metal Mediated C–H Activation and Functionalization: The Role of Poly(pyrazolyl)borate and Poly(pyrazolyl)alkane Ligands" McKeown, B. A., Lee, J. P., Mei, J. J., Cundari, T. R., Gunnoe, T. B.* Eur. J. Inorg. Chem. 2016, 2296-2311 (special issue "The Significance of Scorpionate Ligands 50 Years on"). DOI: 10.1002/ejic.201501470
126. "MAXNET Energy - Focusing Research in Chemical Energy Conversion on the Electrocatalytic Oxygen Evolution" Auer, A. A., Antonietti, M., Antonyshyn, I., Böhm, K.-H., Brüller, S., Cap, S., Cherevko, S., Davis, R. J., Deng, X., Fellinger, T., Freakley, S., Grin, Y., Gunnoe, T. B., Haj-Hariri, H., Hutchings, G., Liang, H., Mayrhofer, K. J. J., Müllen, K., Neese, F., Papakonstantinou, G., Ranjan, C., Sankar, M., Schlögl, R., Schüth, F., Shalom, M., Spanos, I., Stratmann, M., Sundmacher, K., Tüysüz, H., Vidakovic-Koch, T., Yi, Y., Zangari, G. Green 2015, 5, 7-21. DOI.org/ 10.1515/green-2015-0021
125. "Organometallic Complexes Anchored to Conductive Carbon for Electrocatalytic Oxidation of Methane at Low Temperature" Joglekar, M., Nguyen, V., Pylypenko, S., Li, Q., O'Reilly, M. A., Gray, T. S., Gunnoe, T. B.*, Herring, A. M.*, Trewyn, B. G.* J. Am. Chem. Soc. 2016, 138, 116-125 (work was highlighted in Chemical and Engineering News, selected as a cover feature and highlighted in JACS Spotlights) DOI.org/10.1021/jacs.5b6392
124. "A Meeting of Metals–A Joint Virtual Issue between Organometallics and ACS Catalysis on First-Row Transition Metal Complexes" Chirik, P. J., Gunnoe, T. B. Editorial, ACS Catalysis 2015, 5, 5584-5585 (not peer reviewed) DOI.org/10.1021/acscatal.5b01831
123. "A Rhodium Catalyst for Single-Step Styrene Production" Vaughan, B. A., Webster-Gardiner, M. S., Cundari, T. R.*, Gunnoe, T. B.* Science 2015, 348, 421-424. This manuscript was highlighted in Chemical and Engineering News 2015, 93 (17), 26 and Phys.org. DOI.org/10.1126/science.aaa2260
122. "Phosphine and N-Heterocyclic Carbene Ligands on Pt(II) Shift Selectivity from Ethylene Hydrophenylation toward Benzene Vinylation" Brosnahan, A. M., Talbot, A., McKeown, B. A., Kalman, S. E., Gunnoe, T. B.*, Ess, D. H.*, Sabat, M. Manuscript accepted J. Organomet. Chem. 2015 (invited contribution for special issue in memoriam of Alexander E. Shilov) DOI.org/10.1016/j.jorganchem.2015.03.019
121. "Partial Oxidation of Light Hydrocarbons by Periodate and Chloride Salts" Kalman, S. E., Munz, D., Fortman, G. C., Boaz, N. C., Groves, J. T.*, Gunnoe, T. B.* Dalton Trans. 2015 44, 5294-5298. DOI.org/10.1039/C5DT00558B
120. "Synthesis of RhIII Anilido, Hydroxide, and Methoxide Complexes" Burgess, S. A., Bolaño, T., Gunnoe, T. B.*, Sabat, M., Myers, W. H. Eur. J. Inorg. Chem. 2015 1041-1052. DOI.org/10.1002/ejic.201403147
119. "Proton or Metal? The H/D Exchange of Aromatics in Acidic Solvents" Munz, D., Webster-Gardiner, M. S., Fu R., Strassner, T., Goddard III, W. A.*, Gunnoe, T. B.* ACS Catalysis 2015, 5, 769-775. DOI.org/10.1021/cs501620f
118. "Rhodium Bis(quinolinyl)benzene Complexes for Methane Activation and Functionalization" Fu, R., O'Reilly, M. E., Nielsen, R. J., Goddard III, W. A.*, Gunnoe, T. B.* Chem. Eur. J. 2015, 21, 1286-1293. DOI.org/10.1002/chem.201405460
117. "Arene C–H Activation using Rh(I) Catalysts Supported by Bidentate Nitrogen Chelates" Webster-Gardiner, M. S., Fu, R., Fortman, G. C., Nielsen, R. J., Gunnoe, T. B.*, Goddard III, W. A.* Cat. Sci. Tech. 2015, 5, 96-100 (invited contribution to "Catalysis in the USA" issue). DOI.org/10.1039/C4CY00972J
116. "Reductive Functionalization of a Rhodium(III)-methyl Bond in Acidic Media: A Key Step in Methane Electrophilic Functionalization" O'Reilly, M. E., Pahls, D. R., Cundari, T. R.*, Gunnoe, T. B.* Organometallics 2014, 33, 6504-6510. DOI: 10.1021/om5008456
115. "DFT Virtual Screening Identifies Rhodium-Amidinate Complexes As Potential Homogeneous Catalysts for Methane to Methanol Oxidation" Fu, R., Nielsen, R.*, Goddard III, W. A.*, Fortman, G., Gunnoe, T. B.* ACS Catalysis 2014, 4, 4455-4465. DOI.org/10.1021/cs5005322
114. "Long Range C–H Bond Activation by RhIII-carboxylates" O'Reilly, M. E., Fu, R., Nielsen, R. J., Sabat, M., Goddard III, W. A.*, Gunnoe, T. B.* J. Am. Chem. Soc. 2014, 136, 14690-14693. DOI.org/10.1021/ja508367m
113. "Metal-Free Amidation of Ether sp3 C–H Bonds with Sulfonamides using PhI(OAc)2" Campos, J., Goforth, S. K., Crabtree, R. H.*, Gunnoe, T. B.* RSC Adv. 2014, 4, 47951-47957. DOI.org/10.1039/C4RA09665G
112. "Oxygen Atom Insertion into Iron(II) Phenyl and Methyl Bonds: A Key Step for Catalytic Hydrocarbon Functionalization" Mei, J., Pardue, D. B., Kalman, S. E., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M. Organometallics 2014, 33, 5597-5605. DOI.org/10.1021/om500914h
111. "Formation of Hydroxyindenyl and Vinylidene Ligands by Reaction of Internal Alkynes with Cp*Fe(CO)(NCMe)Ph" Kalman, S. E., Gunnoe, T. B.*, Sabat, M. Organometallics 2014, 33, 5457-5463. DOI.org/10.1021/om500748v
110. "Polymers for the stabilization and delivery of proteins topically and per os to the insect hemocoel through conjugation with aliphatic polyethylene glycol" Jeffers, L. A., Shen, H., Bissinger, B. W., Khalil, S., Gunnoe, T. B., Roe, R. M. Pest. Biol. Phys. 2014, 115, 58-66. DOI.org/10.1016/j.pestbp.2014.08.006
109. "Selective CH Functionalization of Methane, Ethane and Propane by a Perfluoroarene Iodine(III) Complex" Konnick, M. M., Hashiguchi, B. G., Devarajan, D., Boaz, N. C., Gunnoe, T. B., Groves, J. T., Ess, D. H., Periana, R. A. Angew. Chem. Int. Ed. 2014, 53, 10490-10494. DOI.org/10.1002/anie.201406185
108. "Hydrophenylation of Ethylene using a Cationic Ru(II) Catalyst: Comparison to a Neutral Ru(II) Catalyst" Burgess, S. A., Joslin, E. E., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M., Myers, W. H. Chem. Sci. 2014, 5, 4355-4366. DOI.org/10.1039/C4SC01665C
107. "C–H Activation of Pyrazolyl Ligands by Ru(II)" Joslin, E. E., Quillian, B., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M., Myers, W. H. Inorg. Chem. 2014, 53, 6270-6279. DOI.org/10.1021/ic500811n
106. "Selective Monooxidation of Light Alkanes Using Chloride and Iodate" Fortman, G. C., Boaz, N. C., Munz, D., Konnick, M. M., Periana, R. A., Groves, J. T.*, Gunnoe, T. B.* J. Am. Chem. Soc. 2014, 136, 8393-8401. This work was highlighted in Chemical and Engineering News 2014,92 (33), 23-24. DOI.org/10.1021/ja502657g
105. "1,2-Addition of Dihydrogen across Rh(III)–OMe Bonds" Burgess, S. A., Devarajan, D., Bolaño, T., Ess, D. H.*, Gunnoe, T. B.*, Sabat, M., Myers, W. H. Inorg. Chem. 2014, 53, 5328–5340. DOI.org/10.1021/ic500636m
104. "Pt(II) Catalyzed Hydrophenylation of a-Olefins: Variation of Linear/Branched Products as a Function of Ligand Donor Ability" McKeown, B. A., Prince, B. M., Ramiro, Z., Gunnoe, T. B.*, Cundari, T. R.* ACS Catalysis 2014, 4, 1607-1615. DOI.org/10.1021/cs400988w
103. "Theoretical Study of Reductive Functionalization of Methyl Ligands of Group 9 Complexes Supported by Two Bipyridyl Ligands: A Key Step in Catalytic Hydrocarbon Functionalization" Pahls, D. R., Groves, J. T., Gunnoe, T. B., Cundari, T.R.* Organometallics 2014, 33, 1936-1944. DOI.org/10.1021/om4010093
102. "Reductive Functionalization of a Rh(III)-methyl Bond by Electronic Modification of the Supporting Ligand" O'Reilly, M. E., Pahls, D. R., Webb, J. R., Boaz, N. C., Majumdar, S., Hoff, C. D., Groves, J. T.*, Cundari, T. R.*, Gunnoe, T. B.* Dalton Trans. 2014, 43, 8273-8281. DOI: 10.1039/C4DT00234B
101. "Oxy-functionalization of Group 9 and 10 Transition Metal Methyl Ligands: Use of Pyridine-based Hemi-labile Ligands" Prince, B. M., Gunnoe, T. B.*, Cundari, T. R.* Dalton Trans. 2014, 43, 7608-7614. DOI.org/10.1039/C4DT00371C
100. "DFT Study of Oxygen Atom Insertion into Metal–Methyl Bonds of Fe(II), Ru(II) and Os(II) Complexes: Study of Metal-Mediated C–O Bond Formation" Pardue, D. B., Mei, J. J., Cundari, T. R.*, Gunnoe, T. B.* Inorg. Chem. 2014, 53, 2968–2975. DOI.org/10.1021/ic402759w
99. "Activation of Carbon-Hydrogen Bonds and Dihydrogen by 1,2-CH-Addition across Metal-Heteroatom Bonds" Webb, J. R., Burgess, S. A., Cundari, T. R.*, Gunnoe, T. B.* Dalton Trans. 2013 42, 16646-16665. DOI.org/10.1039/C3DT52164H
98. "Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible PtII Catalyst Scaffold" McKeown, B. A., Gonzalez, H. E., Michaelos, T., Gunnoe, T. B.*, Cundari, T. R.*, Crabtree, R. H., Sabat, M. Organometallics 2013, 32, 3903-3913. DOI.org/10.1021/om400390e
97. "Pt(II) and Rh(III) Hydrocarbyl Complexes Bearing Coordinated Oxygen Atom Delivery Reagents" Webb, J. R., Figg, T. M., Otten, B. M., Cundari, T. R.*, Gunnoe, T. B.*, Sabat, M. Eur. J. Inorg. Chem. 2013, 4515-4525. DOI.org/10.1002/ejic.201300434
96. "PtII Catalyzed Ethylene Hydrophenylation: Influence of Dipyridyl Chelate Ring Size on Catalyst Activity and Longevity" McKeown, B. A., Gonzalez, H. E., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M. ACS Catalysis 2013, 3, 1165–1171. DOI.org/10.1021/cs400231f
95. "PtII Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl and Vinyl Benzene Production" McKeown, B. A., Gonzalez, H. E., Friedfeld, M. R., Brosnahan, A. M., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M. Organometallics 2013, 32, 2857-2865. DOI.org/10.1021/om400306w
94. "Facile and Regioselective C–H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway" Kalman, S. E., Petit, A., Gunnoe, T. B.*, Ess, D. H.*, Cundari, T. R.*, Sabat, M. Organometallics 2013, 32, 1797-1806. DOI.org/10.1021/om301219t
93. "2,2,2-Tris(pyrazolyl)ethoxide (Epox) Ruthenium (II) Complexes, (Epox)RuCl(L)(L'): Synthesis, Structure and Reactivity" Quillian, B., Joslin, E. E., Gunnoe, T. B.*, Sabat, M. Inorg. Chem. 2013, 52, 1113-1121. DOI.org/10.1021/ic3024474
92. "Variable Pathways for Oxygen Atom Insertion into Metal–Carbon Bonds: The Case of Cp*W(O)2(CH2SiMe3)" Mei, J., Carsch, K. M., Freitag, C. R., Gunnoe, T. B.*, Cundari, T. R.* J. Am. Chem. Soc. 2013, 135, 424-435. DOI.org/10.1021/ja309755g
91. "Direct Coupling of Nitriles and Aniline to Form the Triazapentadience Species Rh(III){NH=C(R)N(Ph)C(R)=NH}" Bolaño, T., Gunnoe, T. B.*, Sabat, M. Dalton Trans. 2013, 42, 347-350. DOI.org/10.1039/C2DT32606J
90. "Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported by N-Heterocyclic Carbene Ligands" Pouy, M. J., Delp, S. A., Uddin, J., Ramdeen, V. M., Cochrane, N. A., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M., Myers, W. H. ACS Catalysis 2012, 2, 2182-2193. DOI.org/10.1021/cs300544w
89. "Catalytic Hydroarylation of Ethylene using TpRu(L)(NCMe)Ph (L = 2,6,7-Trioxa-1-phosphabicyclo[2,2,1]heptane): Comparison to TpRu(L')(NCMe)Ph Systems (L' = CO, PMe3 or P(OCH2)3CEt)" Joslin, E. E., McMullin, C. L., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M., Myers, W. H.Organometallics 2012, 31, 6851-6860. DOI.org/10.1021/om300676e
88. "Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds" Pouy, M. J., Milczek, E. M., Figg, T. M., Otten, B. M., Prince, B. M., Gunnoe, T. B.*, Cundari, T. R.*, Groves, J. T.* J. Am. Chem. Soc. 2012, 134, 12920-12923. DOI.org/10.1021/ja3054139
87. "Theory of Late-Transition-Metal Alkyl and Heteroatom Bonding: Analysis of Pt, Ru, Ir, and Rh Complexes" Devarajan, D., Gunnoe, T. B., Ess, D. H.* Inorg. Chem. 2012, 51, 6710–6718. DOI.org/10.1021/ic300350k
86. "Coordination Chemistry of 4-Methyl-2,6,7-Trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes" Joslin, E. E., McMullin, C. L., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M. Inorg. Chem. 2012, 51, 4791-4801. DOI.org/10.1021/ic300109b
85. "The Para-Substituent Effect and pH-dependence of the Organometallic Baeyer-Villiger Oxidation of Rhenium-Carbon Bonds" Cheng, M.-J., Bischof, S. M., Nielsen, R. J.*, Goddard III, W. A., Gunnoe, T. B., Periana, R. A. Dalton Trans. 2012, 41, 3758-3763. DOI.org/10.1039/C2DT11984F
84. "Carbon–Oxygen Bond Formation via Organometallic Baeyer–Villiger Transformations: A Computational Study on the Impact of Metal Identity" Figg, T. M., Webb, J. R., Cundari, T. R.*, Gunnoe, T. B.* J. Am. Chem. Soc. 2012, 134, 2332-2339. DOI.org/10.1021/ja2102778
83. "Enhanced Activity of an Insecticidal Protein, Trypsin Modulating Oostatic Factor (TMOF), through Conjugation with Aliphatic Poly(ethylene glycol)" Jeffers, L. A., Shen, H.-Y., Khalil, S., Bissinger, B. W., Brandt, A., Gunnoe, T. B.*, Roe, R. M.* Pest Manag. Sci. 2012, 68, 49-59. DOI.org/10.1002/ps.2219
82. "DFT Study of Group 8 Catalysts for the Hydrophenylation of Ethylene: Influence of Ancillary Ligands and Metal Identity" Morello, G. R., Cundari, T. R.*, Gunnoe, T. B.* J. Organomet. Chem. 2012, 697, 15-22. DOI.org/10.1016/j.jorganchem.2011.09.019
81. "Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes" McKeown, B. A., Gonzalez, H. E., Friedfeld, M. R., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M. J. Am. Chem. Soc. 2011, 133, 19131-19152. DOI.org/10.1021/ja206064v
80. "Non-Redox Oxy-Insertion via Organometallic Baeyer-Villiger Transformations: A Computational Hammett Study of Platinum(II) Complexes" Figg, T. M., Cundari, T. R.*, Gunnoe, T. B.* Organometallics 2011, 30, 3779-3785. DOI.org/10.1021/om200258d
79. "Hyper-Distorted Tungsten Allyl Complexes and their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes" Harrison, D. P., Nichols-Nielander, A. C., Zottig, V. E., Strausberg, L. J., Salomon, R. J., Trindle, C. O., Sabat, M., Gunnoe, T. B., Iovan, D. A., Myers, W. H., Harman, W. D.* Organometallics 2011, 30, 2587-2597. DOI.org/10.1021/om200183m
78. "Pt(II) and Pt(IV) Amido, Aryloxo, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds" Webb, J. R., Munro-Leighton, C., Pierpont, A. W., Gurkin, J. T., Gunnoe, T. B.*, Cundari, T. R.*, Sabat, M., Petersen, J. L., Boyle, P. D. Inorg. Chem. 2011, 50, 4195-4211 (manuscript featured on cover). DOI.org/10.1021/ic200153n
77. "Functionalization of Rhenium Aryl Bonds by O-Atom Transfer" Bischof, S. M., Chen, M.-J., Nielsen, R. J., Gunnoe, T. B., Goddard, III, W. A., Periana, R. A.* Organometallics 2011, 30, 2079-2082. DOI.org/10.1021/om2002365
76. "Chemistry in the Center for Catalytic Hydrocarbon Functionalization: An Energy Frontier Research Center" Golisz, S. R., Gunnoe, T. B., Goddard, III, W. A., Groves, J. T., Periana, R. A. Cat. Lett. 2011, 141, 213-221. DOI.org/10.1007/s10562-010-0499-5
75. "Well-Defined Cu(I) Amido Complex with Aryl Iodides Reacting to Form Aryl Amines" Delp, S. A., Goj, L. A., Munro-Leighton, C., Lee, J. P., Gunnoe, T. B.*, Cundari, T. R.*, Petersen, J. L. Organometallics 2011, 30, 55-57. DOI.org/10.1021/om101084e
74. "Catalytic Oxy-Functionalization of Methane and Other Hydrocarbons: New Fundamental Advancements and Strategies" Webb, J. A., Bolaño, T., Gunnoe, T. B.* Invited manuscript accepted for publication in ChemSusChem 2011, 4, 37-49 (manuscript featured on cover and was one of the 25 "most-accessed" manuscripts for 2011). DOI.org/10.1002/cssc.201000319
73. "Transition Metal Catalyzed Hydroarylation of Olefins using Unactivated Substrates: Recent Developments and Challenges" Andreatta, J. R., McKeown, B. A., Gunnoe, T. B.* J. Organomet. Chem. 2011, 696, 305-315 (invited review). DOI.org/10.1016/j.jorganchem.2010.09.030
72. "Ligand Lone-Pair Influence on Hydrocarbon C-H Activation: A Computational Perspective" Ess, D. H.*, Gunnoe, T. B.*, Cundari, T. R.*, Goddard III, W. A., Periana, R. A., Organometallics 2010, 29, 6801-6815. DOI.org/10.1021/om100974q
71. "Net Hydrogenation of Pt-NHPh Bond is Catalyzed by Elemental Pt" Webb, J. R., Pierpont, A. W., Munro-Leighton, C., Gunnoe, T. B.*, Cundari, T. R.*, Boyle, P. D. J. Am. Chem. Soc. 2010, 132, 4520-4521. DOI.org/10.1021/ja9102309
70. "Invisible Proteins: Novel Delivery System for the Stabilization and Enhanced Activity of Protein Insecticides" Roe, R. M.*, Jeffers, L. A., Bissinger, B. E., Shen, H.-Y., Gunnoe, T. B.*, Brandt, A. Proceedings of the Beltwide Cotton Conferences, January 5-8, 2009, 834-843.
69. "Ru(II) Catalysts Supported by Hydridotris(pyrazolyl)borate for the Hydroarylation of Olefins: Reaction Scope, Mechanistic Studies and Guides for the Development of Improved Catalysts" Foley, N. A., Lee, J. P., Gunnoe, T. B.*, Cundari, T. R.* Acc. Chem. Res. 2009, 42, 585-597. DOI.org/10.1021/ar800183j
68. "Novel Insecticide Polymer Chemistry to Reduce the Enzymatic Digestion of a Protein Pesticide, Trypsin Modulating Oostatic Factor (TMOF)" Shen, H.-Y., Brandt, A., Witting-Bissinger, B. E., Gunnoe, T. B.*, Roe, R. M.* Manuscript Pestic. Biochem. Physiol. 2009, 93, 144-152. DOI.org/10.1016/j.pestbp.2009.02.004
67. "Six-, Five- and Four-Coordinate Ruthenium(II) Hydride Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Characterization, Fundamental Reactivity and Catalytic Hydrogenation of Olefins, Aldehydes and Ketones" Lee, J. P., Ke, Z., Ramírez, M. A., Gunnoe, T. B.*, Cundari, T. R.*, Boyle, P. D., Petersen, J. L. Organometallics 2009, 28, 1758-1775. DOI.org/10.1021/om801111c
66. "Combined Experimental and Computational Study of W(II), Ru(II), Pt(IV) and Cu(I) Amine and Amido Complexes Using 15N NMR Spectroscopy" Delp, S. A., Munro-Leighton, C., Khosla, C., Templeton, J. L., Alsop, N. M., Gunnoe, T. B.*, Cundari, T. R.* J. Organomet. Chem.2009, 694, 1549-1556. DOI.org/10.1016/j.jorganchem.2009.01.006
65. "Chlorination of Boron on a Ruthenium Coordinated Hydridotris(pyrazolyl)borate (Tp) Ligand: A Caveat for the Use of TpRu(PPh3)2Cl" Foley, N. A., Abernethy, R. J., Gunnoe, T. B.*, Hill, A. F., Boyle, P. D., Sabat, M. Organometallics 2009, 28, 374-377. DOI.org/10.1021/om8008074
64. "Hydroarylation of Unactivated Olefins Catalyzed by Pt(II) Complexes" McKeown, B. A., Foley, N. A., Lee, J. P., Gunnoe, T. B.* Organometallics 2008, 27, 4031-4033. DOI.org/10.1021/om8006008
63. "Preparation and Reactivity of a Well-Defined Monomeric Octahedral Pt(IV) Amido Complex" Munro-Leighton, C., Feng, Y., Zhang, J. Alsop, N. M., Gunnoe, T. B.*, Boyle, P. D., Petersen, J. L. Inorg. Chem. 2008, 47, 6124-6126. DOI.org/10.1021/ic800843b
62. "Ruthenium (II) Complexes Possessing the h6-p-Cymene Ligand" Sumiyoshi, T., Gunnoe, T. B.* Petersen, J. L., Boyle, P. D. Inorg. Chim. Acta 2008, 361, 3254-3262 (special issue in honor of Professor Robert Angelici) DOI.org/10.1016/j.ica.2007.10.012
61. "Aromatic C-H Activation and Hydrophenylation of Ethylene by TpRu{P(OCH2)3CEt}(NCMe)Ph" Foley, N. A., Ke, Z., Gunnoe, T. B.*, Cundari, T. R.*, Petersen, J. L. Organometallics 2008, 27, 3007-3017. DOI.org/10.1021/om800275b
60. "Chemistry Surrounding Group VII Complexes that Possess Poly(pyrazolyl)borate Ligands" Lail, M., Pittard, K. A., Gunnoe, T. B.* Adv. Organomet. Chem. 2008, 56, 95-153. DOI.org/10.1016/S0065-3055(07)56002-8
59. "Activation of sp3 Carbon-Hydrogen Bonds by a Ru(II) Complex and Subsequent Metal-Mediated C-C and C-N Bond Formation" Foley, N. A., Gunnoe, T. B.*, Cundari, T. R.*, Boyle, P. D., Petersen, J. L. Angew. Chem. Int. Ed. 2008, 47, 726-730 (selected as an Angew. Chem. "hot" paper) DOI.org/10.1002/anie.200704614
58. "Anti-Markovnikov Hydroamination and Hydrothiolation of Vinylarenes Catalyzed by Well-Defined Monomeric Copper(I) Amido and Thiolate Complexes" Munro-Leighton, C., Delp, S. A., Alsop, N. M., Blue, E. D., Gunnoe, T. B.* Chem. Commun. 2008, 111-113. DOI.org/10.1039/B715507G
57. "Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ru(II) Complexes: Evidence for s-Bond Metathesis from Hammett Studies" DeYonker, N. J., Foley, N. A., Cundari, T. R.*, Gunnoe, T. B.* Organometallics 2007, 26, 6604-6611. DOI.org/10.1021/om7009057
56. "Combined Experimental and Computational Study of TpRu{P(pyr)3}(NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins" Foley, N. A., Lail, M., Gunnoe, T. B.*, Cundari, T. R.*, Boyle, P. D., Petersen, J. L. Organometallics 2007, 26, 5507-5516. DOI.org/10.1021/om700666y
55. "Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study" Cundari, T. R.*, Grimes, T., Gunnoe, T. B.* J. Am. Chem. Soc. 2007, 129, 13172-13182. DOI.org/10.1021/ja074125g
54. "Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene" Foley, N. A., Lail, M., Gunnoe, T. B.*, Cundari, T. R., Petersen, J. L. J. Am. Chem. Soc. 2007, 129, 6765-6781. DOI.org/10.1021/ja068542p
53. "Reactivity of TpRu(L)(NCMe)R (L = CO, PMe3; R = Me, Ph) Systems with Isonitriles: Experimental and Computational Studies Toward the Intra- and Intermolecular Hydroarylation of Isonitriles" Lee, J. P., Jimenez-Halla, J. O. C., Cundari, T. R.*, Gunnoe T. B.* J. Organomet. Chem.2007, 692, 2175-2186. DOI.org/10.1016/j.jorganchem.2007.01.037
52. "Addition of S-H Bonds across Electron-Deficient Olefins Catalyzed by Well-Defined Copper(I) Thiolate Complexes" Delp, S. A., Munro-Leighton, C., Goj, L. A., Ramírez, M. A., Gunnoe, T. B.*, Petersen, J. L. Inorg. Chem. 2007, 46, 2365-2367. DOI.org/10.1021/ic070268s
51. "Reactivity of Ruthenium (II) and Copper (I) Complexes that Possess Anionic Heteroatomic Ligands: Synthetic Exploitation of Nucleophilicity and Basicity of Amido, Hydroxo, Alkoxo and Aryloxo Ligands for the Activation of Substrates that Possess Polar Bonds as Well as Non-Polar C-H and H-H Bonds" Gunnoe, T. B.* (Invited micro-review, work featured on cover) Eur. J. Inorg. Chem. 2007, 1185-1203. DOI.org/10.1002/ejic.200601072
50. "Addition of N-H and O-H Bonds of Amines and Alcohols to Electron-Deficient Olefins Catalyzed by Monomeric Copper(I) Systems: Reaction Scope, Mechanistic Details and Comparison of Catalyst Efficiency" Munro-Leighton, C., Delp, S. A., Blue, E. D., Gunnoe, T. B.* Organometallics 2007, 26, 1483-1493 (15th most-accessed manuscript for 2007). DOI.org/10.1021/om061133h
49. "Protonation of N-Heterocyclic Carbene Ligand Coordinated to Copper(I): Coordination Mode of Imidazolium Cation as a Function of Counterion as Determined by Solid-State Structures" Blue, E. D., Gunnoe, T. B.*, Petersen, J. L., Boyle, P. D. J. Organomet. Chem. 2006, 691, 6000-6005. DOI.org/10.1016/j.jorganchem.2006.09.051
48. "Chemistry Surrounding Monomeric Cu(I) Methyl, Phenyl, Anilido, Ethoxide and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with both Early and Late Transition Metal Systems" Goj, L. A., Blue, E. D., Delp, S. A., Gunnoe, T. B.*, Cundari, T. R., Pierpont, A. W., Petersen, J. L., Inorg. Chem. 2006, 45, 9032-9045. DOI.org/10.1021/ic0611995
47. "Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Carbon-Hydrogen Bonds" Feng, Y., Gunnoe, T. B.*, Cundari, T. R. Organometallics 2006, 25, 5456-5465. DOI.org/10.1021/om0606385
46. "Single-Electron Oxidation of Monomeric Copper (I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes" Goj, L. A., Blue, E. D., Delp, S. A. Gunnoe, T. B.*, Cundari, T. R.*, Petersen, J. L. Organometallics 2006, 25, 4097-4104. DOI.org/10.1021/om060409i
45. "Hydrogen-Deuterium Exchange between TpRu(PMe3)(L)X (Tp = hydridotris(pyrazolyl)borate; L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes" Feng, Y., Lail, M., Foley, N. A., Gunnoe, T. B.*, Barakat, K. A., Cundari, T. R., Petersen, J. L. J. Am. Chem. Soc. 2006, 128, 7982-7994. DOI.org/10.1021/ja0615775
44. "Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage and Decarbonylation Reactions" Lee, J. P., Pittard, K. A., Cundari, T. R., Gunnoe, T. B.*, Petersen, J. L. Organometallics 2006, 25, 1500-1510. DOI.org/10.1021/om050967h
43. "Reactions of TpRu(CO)(NCMe)(Ph) (Tp = hydridotris(pyrazolyl)borate) with Electron-Rich Olefins: Examples of Stoichiometric C-S and C-H Bond Cleavage" Goj, L. A., Lail, M., Pittard, K. A., Riley, K. C., Gunnoe, T. B.*, Petersen, J. L. Chem. Commun. 2006, 982-984. DOI.org/10.1021/om049508r
42. "Anti-Markovnikov N-H and O-H Additions to Electron-Deficient Olefins Catalyzed by Well-Defined Cu(I) Anilido, Ethoxide and Phenoxide Systems" Munro-Leighton, C., Blue, E. D., Gunnoe, T. B.* J. Am. Chem. Soc. 2006, 128, 1446-1447. DOI.org/10.1021/ja057622a
41. "Cleavage of X-H Bonds (X = N, O, or C) by Cu(I) Alkyl Complexes to Form Monomeric Two-Coordinate Cu(I) Systems" Goj, L. A., Blue, E. D., Munro-Leighton, C., Gunnoe, T. B.*, Petersen, J. L. Inorg. Chem. 2005, 44, 8647-8649. DOI.org/10.1021/ic0517624
40. "Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] (PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4 = 2,6-(CF3)2C6H3, L = h1-ClCH2Cl, h1-N2, or m-Cl-Ru(PCP)(CO)): Reactions with Phenyldiazomethane and Phenylacetylene" Zhang, J., Barakat, K. A., Cundari, T. R., Gunnoe, T. B.*, Boyle, P. D., Petersen, J. L., Day, C. S. Inorg. Chem. 2005, 44, 8379-8390. DOI.org/10.1021/ic051074k
39. "Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond" Feng, Y., Lail, M., Barakat, K. A., Cundari, T. R., Gunnoe, T. B.*, Petersen, J. L. J. Am. Chem. Soc. 2005, 127, 14174-14175. DOI.org/10.1021/ja054101e
38. "Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study" Pittard, K. A., Cundari, T. R., Gunnoe, T. B.*, Day, C. S., Petersen, J. L. Organometallics 2005, 24, 5015-5024. DOI.org/10.1021/om0506668
37. "Developments in Catalytic Aromatic C-H Transformations: Promising Tools for Organic Synthesis" Goj, L., Gunnoe, T. B.* Curr. Org. Chem.2005, 9, 671-685. DOI.org/10.2174/1385272053765051
36. "Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates that Possess Polar Bonds" Zhang, J., Gunnoe, T. B.*, Petersen, J. L. Inorg. Chem. 2005, 44, 2895-2907. DOI.org/10.1021/ic0483592
35. "Conversions of Ru(III) Alkyl Complexes to Ru(II) Complexes Through Ru-Calkyl Bond Homolysis" Lail, M., Gunnoe, T. B.*, Barakat, K. A., Cundari, T. R. Organometallics 2005, 24, 1301-1305. DOI.org/10.1021/om049145v
34. "Reactions of TpRu(CO)(NCMe)(Me) (Tp = hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C-H Activation" Pittard, K. A., Lee, J. P., Cundari, T. R., Gunnoe, T. B.*, Day, C. S., Petersen, J. L. Organometallics 2004, 23, 5514-5523. DOI.org/10.1021/om049508r
33. "Experimental and Computational Studies of Ru(II) Catalyzed Addition of Aromatic C-H Bonds to Olefins" Lail, M., Bell, C. M., Conner, D., Cundari, T. R., Gunnoe, T. B.*, Petersen, J. L. Organometallics 2004, 23, 5007-5020. DOI.org/10.1021/om049404g
32. "Ruthenium (II) Anilido Complex Containing a Bisphosphine Pincer Ligand: Reversible Formation of Amidinate Ligands via Intramolecular C-N Bond Formation" Zhang, J., Gunnoe, T. B.*, Boyle, P. D. Organometallics 2004, 23, 3094-3097. DOI.org/10.1021/om0497543
31. "Synthesis and Reactivity of a Coordinatively Unsaturated Ru(II) Parent Amido Complex: Studies of X-H Activation (X = H or C)" Conner, D., Jayaprakash, K. N., Cundari, T. R., Gunnoe, T. B * Organometallics 2004, 23, 2724-2733. DOI.org/10.1021/om049836r
30. "Radical Polymerization of Styrene and Methyl Methacrylate with Ruthenium(II) Complexes" Arrowood, B. N., Lail, M., Gunnoe, T. B.*, Boyle, P. D. Organometallics 2003, 22, 4692-4698. DOI.org/10.1021/om020871c
29. "Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex" Blue, E. D., Davis, A., Conner, D., Gunnoe, T. B.*, Boyle, P. D., White, P. S. J. Am. Chem. Soc. 2003, 125, 9435-9441. DOI.org/10.1021/ja0353659
28. "Octahedral Ru(II) Amido Complexes TpRu(L)(L')(NHR) (Tp = Hydridotris(pyrazolyl)borate; L = L' = P(OMe)3 or PMe3 or L = CO and L' = PPh3; R = H, Ph or tBu): Synthesis, Characterization and Reactions with Weakly Acidic C-H Bonds" Conner, D., Jayaprakash, K. N., Wells, M. B., Manzer, S., Gunnoe, T. B.*, Boyle, P. D. Inorg. Chem. 2003, 42, 4759-4772. DOI.org/10.1021/ic034410a
27. "Addition of Arenes to Ethylene and Propene Catalyzed by Ruthenium" Lail, M., Arrowood, B. N., Gunnoe, T. B.* J. Am. Chem. Soc. 2003,125, 7506-7507. DOI.org/10.1021/ja035076k
26. "Computational Study of Methane Activation by TpRe(CO)2 and CpRe(CO)2 with a Stereoelectronic Comparison of Cyclopentadienyl and Scorpionate Ligands" Bergman, R. G., Cundari, T. R.*, Gillespie, A. M., Gunnoe, T. B., Harman, W. D., Klinckman, T. R., Temple, M. D., White, D. P. Organometallics 2003, 22, 2331-2337. DOI.org/10.1021/om021048j
25. "Reaction of Ruthenium Benzylidene Complexes with Cyclic and Acyclic Imines: Oligomerization of 1-Pyrroline and Metathesis via Tautomerism" Zhang, J., Gunnoe, T. B.* Organometallics 2003, 22, 2291-2297. DOI.org/10.1021/om0301029
24. "Ruthenium(II) Anilido Complexes TpRuL2(NHPh): Oxidative 4,4'-Aryl Coupling Reactions (Tp = Hydridotris(pyrazolylborate); L = PMe3, P(OMe)3 or CO)" Conner, D., Jayaprakash, K. N., Gunnoe, T. B.*, Boyle, P. D. Organometallics 2002, 21, 5265-5271. DOI.org/10.1021/om0206406
23. "Synthesis, Spectroscopy, and Solid-State Characterization of the Hexanuclear Copper Macrocycle Cu6Cl6(m-PCHP)6" Blue, E. D., Gunnoe, T. B.*, Brooks, N. R. Angew. Chem. Int. Ed. 2002, 41, 2571-2573. DOI.org/10.1002/1521-3757(20020715)114:14<2683::AID-ANGE2683>3.0.CO;2-K
22. "Influence of the Filled dp-Manifold and L/L' Ligands on the Structure, Basicity and Bond Rotations of the Octahedral and d6 Amido Complexes TpRu(L)(L')(NHPh) (Tp = Hydridotris(pyrazolyl)borate; L = L' = PMe3 or P(OMe)3, or L = CO and L' = PPh3): Solid-State Structures of [TpRu(PMe3)2(NH2Ph)][OTf], [TpRu{P(OMe)3}2(NH2Ph)][OTf], and TpRu{P(OMe)3}2(NHPh)" Conner, D., Jayaprakash, K. N., Gunnoe, T. B.*, Boyle, P. D. Inorg. Chem. 2002, 41, 3042-3049. DOI.org/10.1021/ic020163j
21. "Synthesis of the RuIV Amido Complex [TpRu(CO)(PPh3)(NHPh)][OTf]2 (Tp = hydridotris(pyrazolyl)borate; OTf = trifluoromethanesulfonate) and Deprotonation to Form an Octahedral and d4 Imido Complex: Computational Study of RuIV-Imido Bonding" Jayaprakash, K. N., Gillespie, A. M., Gunnoe, T. B.*, and White, D. P.* Chemical Communications 2002, 4, 372. Correction: Chemical Communications 2002, 4, 1650. DOI.org/10.1039/B110999E
20. "Synthesis and Reactivity of the Octahedral d6 Parent Amido Complexes TpRu(L)(L')(NH2) (Tp = Hydridotris(pyrazolyl)borate; L = L' = P(OMe)3, PMe3; L = CO and L' = PPh3) and [TpRu(PPh3)(NH2)2][Li]" Jayaprakash, K. N., Conner, D., Gunnoe, T. B.* Organometallics 2001, 20, 5254-5256. DOI.org/10.1021/om010739x
19. "Preparation of the Octahedral d6 Amido Complex TpRu(CO)(PPh3)(NHPh) (Tp = Hydridotris(pyrazolyl)borate): Solid-State Structural Characterization and Reactivity" Jayaprakash, K. N., Gunnoe, T. B.*, Boyle, P. D. Inorg. Chem. 2001, 40, 6481-6486. DOI.org/10.1021/ic010785p
18. "Comparison of the Relative Electron-Donating Abilities of Hydridotris(pyrazolyl)borate and Cyclopentadienyl Ligands: Different Interactions with Different Transition Metals" Tellers, D. M., Skoog, S. J., Bergman, R. G.*, Gunnoe, T. B., Harman, W. D. Organometallics 2000, 19, 2428-2432. DOI.org/10.1021/om000043o
Publications from graduate and postdoctoral work:
17. "Binding and Activation of Aromatic Molecules by a Molybdenum p-Base" Meiere, S. H., Keane, J. M., Gunnoe, T. B., Sabat, M., Harman, W. D.* J. Am. Chem. Soc. 2003, 125, 2024-2025. DOI.org/10.1021/ja021057j
16. "Ligand-Modulated Stereo- and Regioselective Tandem Addition Reactions of Rhenium-Bound Naphthalene" Valahovic, M. T., Gunnoe, T. B., Sabat, M., Harman, W. D.* J. Am. Chem. Soc. 2002, 124, 3309-3315. DOI.org/10.1021/ja012066f
15. "Interfacial and Intrafacial Linkage Isomerizations of Rhenium Complexes with Aromatic Molecules" Brooks, B. C., Meiere, S. H., Friedman, L. A., Carrig, E. H., Gunnoe, T. B., Harman, W. D.* J. Am. Chem. Soc. 2001, 123, 3541-3550. DOI.org/10.1021/ja003195j
14. "Dihapto Coordination of Aromatic Molecules by the Asymmetric p-Bases {TpRe(CO)(L)} (Tp = hydridotris(pyrazolyl)borate; L = tBuNC, PMe3, pyridine, 1-methylimidazole, or NH3)" Meiere, S. H., Brooks, B. C., Gunnoe, T. B., Carrig, E. H., Sabat, M., Harman, W. D.*Organometallics 2001, 20, 3661-3671. DOI.org/10.1021/om010227i
13. "A Promising New Dearomatization Agent: Crystal Structure, Synthesis, and Exchange Reactions of the Versatile Complex TpRe(CO)(1-methylimidazole)(h2-benzene) (Tp = Hydridotris(pyrazolyl)borate)" Meiere, S. H., Brooks, B. C., Gunnoe, T. B., Sabat, M., Harman, W. D.*Organometallics 2001, 20, 1038-1040. DOI.org/10.1021/om000900o
12. "{TpRe(bpy)}: A Novel Pentaaminerhenium System that Stabilizes High and Low Oxidation States (Tp = Hydridotris(pyrazolyl)borate; bpy = 2,2'-Bipyridyl)" Gunnoe, T. B., Meiere, S. H., Sabat, M., Harman, W. D.* Inorg. Chem. 2000, 39, 6127-6130. DOI.org/10.1021/ic000707m
11. "Stereoselective Dihapto-Binding of Prochiral Aromatic Compounds by {TpRe(CO)(PMe3)}: Synthesis, Characterization, Stability, and Enantiofacial Discrimination (Tp = Hydrido(tris)pyrazolylborate)" Gunnoe, T. B., Sabat, M., Harman, W. D.* Organometallics 2000, 19, 728-740. DOI.org/10.1021/om9906722
10. "Dihapto Binding of Aromatic Molecules by p-Basic Transition Metal Complexes: Development of Alternatives to the {Os(NH3)5}2+ Fragment" Brooks, B. C., Gunnoe, T. B., Harman, W. D.* Coord. Chem. Rev. 2000, 206-207, 3-61. DOI.org/10.1016/S0010-8545(99)00249-0
9. "Enantiofacial Discrimination in Dihapto-Coordination of Aromatic Molecules by the Chiral p-Base/s-Lewis Acid {TpRe(CO)(PMe3)}" Gunnoe, T. B., Sabat, M., Harman, W. D.* J. Am. Chem. Soc. 1999, 121, 6499-6500. DOI.org/10.1021/ja990891e
8. "Rhenium(I) Terpyridine p-Bases: Reversible h2-Coordination of Ketones, Aldehydes, and Olefins in the Terpyridine Plane" Helberg, L. E., Gunnoe, T. B., Brooks, B. C., Sabat, M., Harman, W. D.* Organometallics 1999, 18, 573-581. DOI.org/10.1021/om980500p
7. "Reactions of TpRe(CO)2(THF) with Aromatic Molecules (Tp = Hydridotris(pyrazolyl)borate)" Gunnoe, T. B., Sabat, M., Harman, W. D.* J. Am. Chem. Soc. 1998, 120, 8747-8754. DOI.org/10.1021/ja980690v
6. "Spectra, Structure, Ligand Exchange, and Decomposition of a Tungsten(II) Ether Complex" Gunnoe, T. B., Caldarelli, J. L., White, P. S., Templeton, J. L.* Angew. Chem. Int. Ed. 1998, 37, 2093-2096. DOI.org/10.1002/(SICI)1521-3773(19980817)37:15<2093::AID-ANIE2093>3.0.CO;2-T
5. "Synthesis and Reactivity of Tungsten(II) Methylene Complexes" Gunnoe, T. B., Surgan, M., White, P. S., Templeton, J. L.*, Casarrubios, L.Organometallics 1997, 16, 4865-4874. DOI.org/10.1021/om970470a
4. "Reaction of a Tungsten(II) Methylene Complex with Excess Base To Form a C3H5-Bridged Dimer" Gunnoe, T. B., White, P. S., Templeton, J. L.* Organometallics 1997, 16, 3794-3799. DOI.org/10.1021/om970271r
3. "Electrophilic Tungsten (II) Methylene Carbene Complexes: Adduct Formation, Methylene Transfer, and Catalysis of Aziridine Formation from Imines and Ethyl Diazoacetate" Gunnoe, T. B., White P. S., Templeton, J. L.*, Casarrubios, L. J. Am. Chem. Soc. 1997, 119, 3171-3172. DOI.org/10.1021/ja9640206
2. "Synthesis and Deprotonation/Alkylation Reactions of the Chiral Carbene Complex Tp'(CO)(NO)Mo=C(OMe)(Me)" Gunnoe, T. B., White, P. S., Templeton, J. L.* Organometallics 1997, 16, 370-377. DOI.org/10.1021/om960593f
1. "Stepwise Oxidation of Benzylamine Coordinated to the [Tp'W(CO)(PhC2Me)]+ Moiety" Gunnoe, T. B., White, P. S., Templeton, J. L.* J. Am. Chem. Soc. 1996, 118, 6916-6923. DOI.org/10.1021/ja953944a
Edited Books:
2. "The Changing Landscape of Hydrocarbon Feedstocks for Chemical Production: Implications for Catalysis" published based on a workshop (hosted by the National Academies of Sciences, Engineering and Medicine) by the National Academies Press, Workshop Planning Committee: Alexis T. Bell, Monty Alger, Maria Flytzani-Stephanopoulos, T. Brent Gunnoe, Johannes A. Lercher, and James C. Stevens.
1. "Catalytic Hydroarylation of Carbon-Carbon Multiple Bonds" Eds. Gunnoe, T. B., Ackermann, L., Habgood, L. G. Contract signed with Wiley-VCH to produce textbook. Targeted completion date is November 2017.
Book Chapters:
5. "Studies of C–H Activation and Functionalization: Combined Computational and Experimental Efforts to Elucidate Mechanisms, Principles and Catalysts" Schwartz, N. A., Gu, S., McKeown, B. A., Huang, X., Boaz, N. C., Gunnoe, T. B., Groves, J. T. invited chapter in "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile: In Honor of William A. Goddard's Contributions to Science and Engineering" 2021, 767-801.
4. "Alkylation of Arenes Without Chelation Assistance: Transition Metal Catalysts with d6 Electron Configurations" McKeown, B. A., Habgood, L. G., Cundari, T. R., Gunnoe, T. B. invited chapter in Catalytic Hydroarylation of Carbon-Carbon Multiple Bonds, 2018, Wiley-VCH, Edited by L. Ackermann, T. B. Gunnoe, L. G. Habgood, pp. 83-106.
3. "Introduction: Alkane C-H Activation by Single-Site Metal Catalysis" Gunnoe, T. B.* invited chapter in Alkane C-H Activation by Single-Site Metal Catalysis, 2012, Springer, Edited by Pedro J. Pérez, pp. 1-16.
2. "Metal-Mediated Carbon-Hydrogen Bond Activation" Gunnoe, T. B.* invited chapter in Physical Inorganic Chemistry: Reactions, Processes, and Applications, 2010, Wiley-VCH, Edited by A. Bakac, pp. 495-549.
1. "Ruthenium (II) and Iridium (III) Catalyzed Hydroarylation of Olefins" Gunnoe, T. B.*, Periana, R. A. invited chapter in Handbook of C-H Transformations, Volume 1, 2005, Wiley-VCH, Edited by G. Dyker, pp. 180-187.