2014

277. 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, D. B. Pardue, J. J. Mei, T. B. Gunnoe, T. R. Cundari, Inorg. Chem., 2014, 53 2968-2975. DOI: 10.1021/ic402759w

278. Oxy-functionalization of Group 9 and 10 Transition Metal Methyl Ligands: Use of Pyridine-based Hemi-labile Ligands B. M. Prince, T. B. Gunnoe, T. R. Cundari Dalton. Trans., 2014, 43 7608-7614. DOI: 10.1039/c4dt00371c

279. Theoretical Study of Reductive Functionalization of Methyl Ligands of Group 9 Complexes Supported by Two Bipyridyl Ligands: A Key Step in Catalytic Hydrocarbon Functionalization D. R. Pahls, J. T. Groves, T. B. Gunnoe, T. R. Cundari, Organometallics, 2014, 33, 1936-1944. DOI: 10.1021/om4010093

280. Modeling of Late 3d Transition Metal Metathesis of tert-Butoxide Complexes with Amines C. R. Freitag, F. J. Birk, W. C. Ou, T. R. Cundari, Polyhedron, 2014, 80 112-116. DOI: 10.1016/j.poly.2014.02.031

281. Reductive Functionalization of a Rh(III)-methyl Bond by Electronic Modification of the Supporting Ligand M. E. O'Reilly, D. R. Pahls, J. R. Webb, N. C. Boaz, S. Majumdar, C. D. Hoff, J. T. Groves, Thomas R. Cundari, T. B. Gunnoe, Dalton Trans.2014,43 8273-8281. DOI: 10.1039/C4DT00234B

282. Iron Complexes Derived from {nacnac-(CH2py)2}- and {nacnac-(CH2py)(CHpy)}n Ligands: Stabilization of Fe(II) via Redox Non-innocence V. A. Williams, P. T. Wolczanski, J. Sutter, K. Meyer, E. B. Lobkovsky, T. R. Cundari Inorg. Chem., 201453 4459-4474 DOI: 10.1021/ic5001123

283. PtII Catalyzed Hydrophenylation of α-Olefins: Variation of Linear: Branched Products as a Function of Ligand Donor Ability B. A. McKeown, B. M. Prince, Z. Ramiro, T. B. Gunnoe, T. R. Cundari ACS Catalysis, 2014,4 1607-1615 DOI: 10.1021/cs400988w

284. C-H Activation of Pyrazolyl Ligands by Ru(II) E. E. Joslin, B. Quillian, T. B. Gunnoe, T. R. Cundari, M. Sabat, W. H. Myers, Inorg. Chem., 2014, 53, 6270-6278. DOI: 10.1021/ic500811n

285. Hydrophenylation of Ethylene using a Cationic Ru(II) Catalyst: Comparison to a Neutral Ru(II) Catalyst S. A. Burgess, E. E. Joslin, T. B. Gunnoe,T. R. Cundari, M. Sabat, W. H. Myers, Chem. Sci. (Edge Article), 2014, 5, 4355 - 4366. DOI: 10.1039/c4sc01665c

286. Oxygen Atom Insertion into Iron Phenyl and Methyl Bonds to Produce Phenol and Methanol: A Key Step for Catalytic Hydrocarbon Functionalization J. J. Mei, S. E. Kalman, D. B. Pardue, T. B. Gunnoe, T. R. Cundari, M. Sabat, Organometallics, 2014, 33, 5597-5605. DOI: 10.1021/om500914h

287. The Curious Case of Mesityl Azide and Its Reactivity with bpyNiEt2 T. M. Figg, B. M. Otten, G. L. Hillhouse, T. R. Cundari, Inorg. Chem., 2014, 53, 11633-11639. DOI: 10.1021/ic501766k

288. DFT Study of the Reaction of a Two-Coordinate Iron(II) Dialkyl Complex with Molecular Oxygen B. M. Prince, T. R. Cundari, C. J. Tymczak, J. Phys. Chem. A, 2014, 118, 11056-11061. DOI: 10.1021/jp5082438

289. Disparate Reactivity from Isomeric {Me2C(CH2N=CHpy)2} and {Me2C(CH=NCH2py)2} Chelates in Iron Complexation E. B. Hulley, V. A. Williams, W. D. Morris, P. T. Wolczanski, K. Hernandez-Burgos, E. B. Lobkovsky, T. R. Cundari, Polyhedron, 2014, 84, 182-191.(invited, Bercaw 70th Birthday Special Issue) DOI: 10.1016/j.poly.2014.07.039

290. Impact of Divalent Metal Cations on the Catalysis of Peptide Bonds: A DFT Study B. L. Ingle, T. R. Cundari, J. Coord. Chem., 2014, 67, 3920-3931.(invited, Costamagna special issue) DOI: 10.1080/00958972.2014.964223

291. Understanding the Effect of Ancillary Ligand on Concerted Metalation Deprotonation by Phe-boxIr(OAc)2(H2O): A DFT Study D. R. Pahls, K. E. Allen, K. I. Goldberg, T. R. Cundari, Organometallics, 2014, 33, 6413-6419. DOI: 10.1021/om500752m

292. Reductive Functionalization of a Rh(III)-methyl Bond in Acidic Media: A Key Step in the Electrophilic Functionalization of Methane M. O'Reilly, D. R. Pahls, T. R. Cundari, T. B. Gunnoe, Organometallics, 2014, 33, 6504-6510. DOI: 10.1021/om5008456

293. Experimental and Computational Studies of the Ruthenium-Catalyzed Hydrosilylation of Alkynes: Mechanistic Insights to Regio- and Stereoselective Formation of Vinylsilanes Chae Yi, R. Gao, T. R. Cundari, D. R. Pahls, Organometallics, 2014, 33, 6937-6944. DOI: 10.1021/om501019j

294. Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand D. J. Mindiola, R. Waterman, V. M. Iluc, S. Baldwin, T. R. Cundari, G. L. Hillhouse, Inorg. Chem., 2014, 53, 13227-13238. DOI: 10.1021/ic5026153

295. A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations, V. Bagchi, P. Paraskevopoulou, P. Das, L. Chi, Q. Wang, A. Choudhury, J. S. Mathieson, L. Cronin, D. B. Pardue, T. R. Cundari, G. Mitrikas, Y. Sanakis, P. Stavropoulos, J. Am. Chem. Soc., 2014, 136, 11362-11381. DOI: 10.1021/ja503869j

296. Impact of d-Orbital Occupation on Metal Carbon Bond Functionalization, E. C. Garrett, T. M. Figg, T. R. Cundari, Inorg. Chem., 2014, 53,7789-7798. DOI: 10.1021/ic5015048

297. Molecular and Electronic Structure of Cyclic Trinuclear Au(I) Carbeniate Complexes. Insight for Structure/Luminescence/Conductivity Relationships, R. N. McDouglad Jr., B. Chilukuri, H. Rabaâ, O. Elbjeirami, X. Wang, V. Nesterov, T. R. Cundari, M. A. Omary, Inorg. Chem., 2014, 53,7485 -7499. DOI: 10.1021/ic500808q

298. Iron and Chromium Complexes Containing Tridentate Chelates Based on Nacnac and Imino- and Methyl-Pyridine Components: Triggering C-C(X) Bond Formation, W. D. Morris, P. T. Wolczanski, J. Sutter, K. Meyer, T. R. Cundari, E. B. Lobkovsky, Inorg. Chem., 2014, 53,7467-7484. DOI: 10.1021/ic500807y

299. Copper(II) Anilides in sp3 C-H Amination, Jang, E.; McMullin, C. L.; Kab, M.; Meyer, K.; Cundari, T. R.; Warren, T. H. J. Am. Chem. Soc., 2014, 136, 10930-10940. DOI: 10.1021/ja5026547

300. Iridium, Rhodium and Ruthenium Catalysts for the "Aldehyde-Water Shift" Reaction, T. P. Brewster, W. C. Ou, J. C. Tran, K. I. Goldberg, S. K. Hanson, T. R. Cundari, D. M. Heinekey, ACS Catatysis, 2014, 4,3034-3038. DOI: 10.1021/cs500843a

301. The Role of Strong Electrostatic Interactions at the Dimer Interface of Human Glutathione Synthetase, M. De Jesus, B. L. Ingle, T. R. Cundari, M. E. Anderson, Protein Journal, 2014, 33, 403-409. DOI: 10.1007/s10930-014-9573-y

302. Reactivity Studies of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand. Carbon-Hydrogen Activation, C-N Bond Formation, and Cycloaddition Chemistry, D. J. Mindiola, R. Waterman, V. M. Iluc, S. Baldwin, T. R. Cundari, G. L. Hillhouse, Inorg. Chem., 2014, 33, 13227-13238. DOI: 10.1021/ic5026153