2005 | Department of Chemistry
  1. Home
  2. 2005

2005

111. A T-shaped Three-Coordinate Nickel(I) Carbonyl Complex and the Geometric Preferences of Three-Coordinate d9 Complexes, N. A. Eckert, A. Dinescu, T. R. Cundari, P. L. Holland, Inorg. Chem., 2005, 44, 7702-7704. DOI: 10.1021/ic0510213

112. Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study, K. A. Pittard, T. R. Cundari, T. B. Gunnoe, C. S. Day, J. L. Petersen, Organometallics, 2005, 24, 5015-5024. DOI: 10.1021/om0506668

113. 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 = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)): Reactions with Phenyldiazomethane and Phenylacetylene, J. Zhang, K. A. Barakat, T. R. Cundari, T. B. Gunnoe, P. D. Boyle, J. L. Petersen, C. S. Day, Inorg. Chem., 2005, 44, 8379-8390. DOI: 10.1021/ic051074k

114. Evidence for the Net Addition of Arene C-H Bonds Across a Ru(II)-Hydroxide Bond, Y. Feng, M. Lail, K. A. Barakat, T. R. Cundari, T. B. Gunnoe, J. L. Petersen, J. Am. Chem. Soc., 2005, 127, 14174-14175. DOI: 10.1021/ja054101e

115. Effect of the Coinage Metal on the Electronic Energy and Electrostatic Potential of Luminescent Trinuclear Pyrazolate Ring Complexes, T. R. Cundari, H. V. Rasika Dias, H. V. Diyabalanage, O. Elbjeirami, M. A. Gonser, T. Grimes, M. A. Omary, M. Rawashdeh-Omary, Inorg. Chem., 2005, 44, 8200-8210. (Cover article) DOI: 10.1021/ic0508730

116. Electronic Features of [(silox)2Mo=NtBu]2(μ-Hg): 3-Center-4-Electron Bonding Controls Reactivity, While its Frontier Orbitals are Key to Estimating a Dimolybdenum π-Bond Strength, D. C. Rosenfeld, K. Barakat, C. Buda, P. T. Wolczanski, T. R. Cundari, J. Am. Chem. Soc., 2005, 127, 8262-8263. DOI: 10.1021/ja051070e

117. Monomeric Thallium(I) Complexes of Fluorinated Triazapentadienyl Ligands, H. V. R. Dias, S. Singh, T. R. Cundari, Angew. Chem., 2005, 44, 4907-4910. DOI: 10.1002/anie.200500401

118. Ground State Prediction of Linkage Isomerism for Transition Metal Complexes using Quantum Mechanics, C. Buda, A. Dinescu, A. B. Kazi, T. R. Cundari, J. Chem. Info. Model., 2005, 45, 965-970. DOI: 10.1021/ci050050t

119. N-Heterocyclic Carbenes of the Late Transition Metals: A Computational and Structural Database Study, E. Baba, T. R. Cundari, I. Firkin, Inorg. Chim. Acta, 2005, 358, 2867-2875. DOI: 10.1016/j.ica.2004.06.053

120. De Novo Prediction of the Ground State Structure of Transition Metal Complexes using Semiempirical and Ab Initio Quantum Mechanics. Coordination Isomerism, C. Buda, T. R. Cundari, A. A. Flores, J. Coord. Chem., 2005, 58, 575-585. DOI: 10.1080/00958970500038258

121. Thermodynamics, Kinetics and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta), K. F. Hirsekorn, A. S. Veige, M. P. Marshak, Y. Koldobskaya, P. T. Wolczanski, T. R. Cundari, E. B. Lobkovsky, J. Am. Chem. Soc., 2005, 127, 4809-4830. DOI: 10.1021/ja046180k

122. Low Coordinate Chromium Siloxides: the "Box" [(μ-Cl)Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr, O. L. Sydora, P. T. Wolczanski, E. B. Lobkovsky, C. Buda, T. R. Cundari, Inorg. Chem., 2005, 44, 2609-2618. DOI: 10.1021/ic0488334

123. Density Functional Theory Study of Palladium Catalyzed Aryl-Nitrogen and Aryl-Oxygen Bond Formation, T. R. Cundari, J. Deng, J. Phys. Org. Chem., 2005, 18, 417-425. DOI: 10.1002/poc.889

124. Conversions of Ru(III) Alkyl Complexes to Ru(II) Complexes Through Ru-Calkyl Bond Homolysis, M. Lail, T. B. Gunnoe, K. A. Barakat, T. R. Cundari, Organometallics, 2005, 24, 1301-1305. DOI: 10.1021/om049145v

125. Chemical and Photophysical Properties of AuI, AuII, AuIII, and AuI-Dimer Complexes, K. A. Barakat, T. R. Cundari, Chem. Phys., 2005, 311, 3-11. DOI: 10.1016/j.chemphys.2004.10.017

126. Calculation of the Enthalpies of Formation for Transition Metal Complexes, T. R. Cundari, H. A. Ruiz Leza, T. Grimes, G. A. Steyl, A.Waters, A. K. Wilson, Chem. Phys. Lett, 2005, 401, 58-61. DOI: 10.1016/j.cplett.2004.11.021