2013

251. Single-Electron Oxidation of N-Heterocyclic Carbene-Supported Nickel Amides Yielding Benzylic C-H Activation, C. A. Laskowski, G. R. Morello, C. T. Saouma, T. R. Cundari, G. L. Hillhouse, Chem. Sci. (Edge Article), 2013, 4 170-174. DOI: 10.1039/C2SC21345A

252. Variable Pathways for Oxygen Atom Insertion into Metal-Carbon Bonds: The Case of Cp*W(O)2(CH2SiMe3), J. J. Mei, K. M. Carsch, C. R. Freitag, T. B. Gunnoe, T. R. Cundari J. Am. Chem. Soc, 2013, 135 424-435. DOI: 10.1021/ja309755g

253. Metal Mediated Oxo Insertion into Platinum-Carbon Bonds: A Computational Hammett Analysis,T. M. Figg, T. R. Cundari Dalton Trans, 2013, 42 4114 - 4121. DOI: 10.1039/C2DT31983G

254. Mechanism of Hydrogenolysis of an Iridium-Methyl Bond: Evidence for a Methane Complex Intermediate, J. Campos, E. Carmona, M. Brookhart, S. Kundu, D. R. Pahls, T. R. Cundari J. Am. Chem. Soc, 2013, 135 1217-1220. DOI: 10.1021/ja310982v

255. Periodic Trends in Metal Mediated CO2 Activation, C. Liu, T. R. Cundari, A. K. Wilson Applications of Molecular Modeling to Challenges in Clean Energy American Chemical Society Symposium Series, G. Fitzgerald, N. Govind (Eds.), ACS: Washington, D. C., 2013, Chapter 5, pp. 67 - 88 DOI: 10.1021/bk-2013-1133.ch005

256. Complete Methane-to-Methanol Catalytic Cycle: A DFT Study of Oxygen Atom Transfer from N2O to late-row (M = Ni, Cu, Zn) β-diketiminate C-H Activation Catalysts, C. M. McMullin, A. W. Pierpont, T. R. Cundari Polyhedron (100th Anniversry of the Award of the 1913 Nobel Prize in Chemistry to Alfred Werner special issue, Invited), 2013, 52 945-956. DOI: 10.1016/j.bbr.2011.03.031

257. Selective Extraction of N2 from Air by Diarylimine Iron Complexes, E. R. Bartholomew, E. C. Volpe, P. T. Wolczanski, E. B. Lobkovsky, T. R. Cundari J. Am. Chem. Soc., 2013, 135 3295 - 3312. DOI: 10.1021/ja311021u

258. C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-di-(2-pyridyl)-2-azaallyl): Dimerizations, 3+2 Cyclization, and Nucleophilic Attack; Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma (di-(2-pyridyl-methyl)-amide)), B. A. Frazier, P. T. Wolczanski, S. C. Bart, K. Meyer, T. R. Cundari, E. B. Lobkovsky Inorg. Chem., 2013, 52 3511 - 3527. DOI: 10.1021/ic302783y

259. Facile and Regioselective C-H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway, S. E. Kalman, A. Petit, T. B. Gunnoe, D. H. Ess, T. R. Cundari, M. Sabat Organometallics, 2013, 321797 - 1806. DOI: 10.1021/om301219t

260. Pt(II) Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl and Vinyl Benzene Production, B. A. McKeown, H. E. Gonzalez, M. R. Friedfeld, A. M. Brosnahan, T. B. Gunnoe, T. R. Cundari, M. Sabat Organometallics, 2013, 32 2857-2865. DOI: 10.1021/om400306w

261. Use of [SbF6]- to Isolate Cationic Copper and Silver Adducts with More than one Ethylene on the Metal Center, Mauro Fianchini, Charles F. Campana, Thomas R. Cundari, and H. V. Rasika Dias Organometallics, 2013, 32 3034-3041. DOI: 10.1021/om4002439

262. PtII Catalyzed Ethylene Hydrophenylation: Influence of Dipyridyl Chelate Ring Size on Catalyst Activity and Longevity, B. A. McKeown, H. E. Gonzalez, T. B. Gunnoe, T. R. Cundari, M. Sabat ACS Catalysis, 2013, 3 1165 - 1171. DOI: 10.1021/cs400231f

263. Electronic and Charge-Transport Properties of the Au3(CH3N═COCH3)3 Crystal: A Density Functional Theory Study, Lingyun Zhu, Veaceslav Coropceanu, Yuanping Yi, Bhaskar Chilukuri, Thomas R. Cundari, and Jean-Luc Brédas J. Phys. Chem. Lett., 2013, 42 2186-2189. DOI: 10.1021/jz400950v

264. C-H Activation by Multiply Bonded Complexes with Potentially Non-Innocent Ligands: A Computational Study, O. A. Olatunji-Ojo, T. R. Cundari; Inorg. Chem, 2013, 52 (14), 8106-8113. DOI: 10.1080/14786435.2013.827801

265. Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study, M. L. Drummond, T. R. Cundari, A. K. Wilson J. Phys. Chem. C, 2013, 117 14717-14722. DOI: 10.1021/jp4053538

266. Computational Study of Carbon-Hydrogen Bond Deprotonation by Alkali Metal Superbases, Pardue, D. B., Gustafson, S. J., Periana, R. A., Ess, D. H., Cundari, T. R. Comp. Theor. Chem. , 2013, 1019, 85-93. DOI: 10.1016/j.comptc.2013.06.041

267. Computational Hammett Analysis of Redox Based Oxy-Insertion by Pt(II) Complexes, T. M. Figg, T. R. Cundari, Dalton Trans. (Crabtree Special Issue) (Invited), 2012, 42 4114-4121. DOI: 10.1039/C2DT31983G

268. Lewis Bases Trigger Intramolecular CH-Bond Activation: (silox)2W=NtBu <=> (silox)((η2-O,C-OSitBu2CMe2CH2)HW=NtBu (silox = OSitBu3), M. Marshak, D. C. Rosenfeld, W.D. Morris, P. T. Wolczanski, E. B. Lobkovsky, T. R. Cundari Eur. J. Inorg. Chem. (Invited), 2013, 22-23 4056 - 4067. DOI: 10.1002/ejic.201300234

269. Pt(II) and Rh(III) Hydrocarbyl Complexes Bearing Coordinated Oxygen Atom Delivery Reagents, J. R. Webb, T. M. Figg, B. M. Otten, T. B. Gunnoe, T. R. Cundari, M. Sabat Eur. J. Inorg. Chem, 2013, 25 4515-4525. DOI: 10.1002/ejic.201300434

270. Spin Crossover during β-hydride Elimination in High-spin Iron(II) and Cobalt(II) Alkyl Complexes;, S. M. Bellows, T. R. Cundari, P. L. Holland, Organometallics, 2013, 32 4741-4851. DOI: 10.1021/om400325x

271. Structure and Bonding of Palladium Oxos as Possible Intermediates in Metal-Carbon Oxy Insertion Reactions, T. M. Figg, G. Schoendorff, B. Chiulukuri, T. R. Cundari, Organometallics, 2013, 32 4993-4996. DOI: 10.1021/om400290r

272. Chemical Bonds Involving d-Orbitals, T. R. Cundari, Chem. Commun. (invited) , 2013, 49 9521-9525. DOI: 10.1039/c3cc45204b

273. Methane C--H Bond Activation by "Naked" Alkali Metal Imidyl and Alkaline Earth Metal Imide Complexes. The Role of Ligand Spin and Nucleophilicity, B. M. Prince, T. R. Cundari, J. Phys. Chem. A , 2013, 49 9245 - 9251. DOI: 10.1021/jp404951e

274. Silver(I) Complexes of Tris(pyrazolyl)borate Ligands Bearing Six Trifluoromethyl and Three Additional Electron-Withdrawing Substituents, N. B. Jayaratna, D. B. Pardue, M. Yousufuddin, K. G. Thakur, T. R. Cundari, H. V. R. Dias J. Chem. Soc., Dalton, 2013, 42, 15399-15410. DOI: 10.1039/c3dt52152d

275. Gold mediated expulsion of dinitrogen from organic azides, C. Dash, M. Yousufuddin, T. R. Cundari, H. V. R. Dias J. Am. Chem. Soc. , 2013, 135 15479 - 15488. DOI: 10.1021/ja406027x

276. Activation of Carbon-Hydrogen Bonds by 1,2-CH-addition Across Metal-Heteroatom Bonds, J. R. Webb, S. A. Burgess, T. R. Cundari, T. B. Gunnoe, Dalton Trans. (Perspective) (Invited) , 2013, 42 16646 - 16665. DOI: 10.1039/C3DT52164H