Thomas R. Cundari

Research interests

Publications

• A rhodium catalyst for single-step styrene production from benzene and ethylene

  Science · 2015 · 10.1126/science.aaa2260

• 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

  Journal of the American Chemical Society · 2014 · 10.1021/ja503869j

• Reaction of CuI with Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C–H Etherification

  Journal of the American Chemical Society · 2012 · 10.1021/ja3053688

• CO2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis

  The Journal of Physical Chemistry C · 2012 · https://doi.org/10.1021/jp210480c

• Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron(III) Complex

  Journal of the American Chemical Society · 2011 · 10.1021/ja2005303

• Computational Inorganic and Bioinorganic Chemistry

  Journal of the American Chemical Society · 2010 · 10.1021/ja103254n

• A Two-Coordinate Nickel Imido Complex That Effects C−H Amination

  Journal of the American Chemical Society · 2010 · 10.1021/ja1101213

• Catalytic CH Amination with Unactivated Amines through Copper(II) Amides

  Angewandte Chemie International Edition · 2010 · 10.1002/anie.201003676

• 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

  Accounts of Chemical Research · 2009 · 10.1021/ar800183j

• Cobalt−Dinitrogen Complexes with Weakened N−N Bonds

  Journal of the American Chemical Society · 2009 · 10.1021/ja808783u

• The Reactivity Patterns of Low-Coordinate Iron−Hydride Complexes

  Journal of the American Chemical Society · 2008 · 10.1021/ja710669w

• Copper–Nitrene Complexes in Catalytic CH Amination

  Angewandte Chemie International Edition · 2008 · https://doi.org/10.1002/anie.200804304

• Quantitative Computational Thermochemistry of Transition Metal Species

  The Journal of Physical Chemistry A · 2007 · 10.1021/jp0715023

• The correlation consistent composite approach (cc CA ): An alternative to the Gaussian-n methods

  The Journal of Chemical Physics · 2006 · https://doi.org/10.1063/1.2173988

• Coordination‐Number Dependence of Reactivity in an Imidoiron(III) Complex

  Angewandte Chemie International Edition · 2006 · 10.1002/anie.200601927

• The correlation-consistent composite approach: Application to the G3/99 test set

  The Journal of Chemical Physics · 2006 · 10.1063/1.2236116

• Studies of Low-Coordinate Iron Dinitrogen Complexes

  Journal of the American Chemical Society · 2005 · https://doi.org/10.1021/ja052707x

• Metal Effect on the Supramolecular Structure, Photophysics, and Acid−Base Character of Trinuclear Pyrazolato Coinage Metal Complexes

  Inorganic Chemistry · 2005 · 10.1021/ic0508730

• Reversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic Studies

  Organometallics · 2004 · 10.1021/om049415+

• Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C−H Bonds to Olefins

  Organometallics · 2004 · 10.1021/om049404g

• Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel

  Journal of the American Chemical Society · 2002 · 10.1021/ja025583m

• Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex

  Journal of the American Chemical Society · 2001 · 10.1021/ja016094+

• Computational Studies of Transition Metal−Main Group Multiple Bonding

  Chemical Reviews · 2000 · 10.1021/cr980406i

• Effective core potential methods for the lanthanides

  The Journal of Chemical Physics · 1993 · https://doi.org/10.1063/1.464902

• An intermediate neglect of differential overlap model for second‐row transition metal species

  International Journal of Quantum Chemistry · 1991 · 10.1002/qua.560390106

Current projects

No projects listed.