The Transition-Metal-Like Behavior of B2 (NHC)2 in the Activation of CO: HOMO-LUMO Swap Without Photoinduction

Flipping the Oxidation State Formalism: Charge Distribution in Organometallic Complexes As Reported by Carbon Monoxide

(2017) Peter T. Wolczanski   ORGANOMETALLICS

Exploring the reducing role of boron: added insights from theory

(2016) Yuvraj Dangat et al.   DALTON TRANSACTIONS

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes

(2016) Giovanni Bistoni et al.   Chemical Science

Reductive Cleavage of Carbon Monoxide by a Disilenide

(2015) Moumita Majumdar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2]−

(2015) Qingnan Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mathematical modeling and physical reality in noncovalent interactions

(2015) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Experimental Assessment of the Strengths of B–B Triple Bonds

(2015) Julian Böhnke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Frustrated Lewis Pairs

(2015) Douglas W. Stephan   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiple complexation of CO and related ligands to a main-group element

(2015) Holger Braunschweig et al.   NATURE

The boron–boron triple bond in NHC→BB←NHC

(2015) Nicole Holzmann et al.   Chemical Science

Spying on the boron–boron triple bond using spin–spin coupling measured from 11B solid-state NMR spectroscopy

(2015) Frédéric A. Perras et al.   Chemical Science

The boron–boron triple bond? A thermodynamic and force field based interpretation of the N-heterocyclic carbene (NHC) stabilization procedure

(2015) R. Köppe et al.   Chemical Science

Boron–boron J coupling constants are unique probes of electronic structure: a solid-state NMR and molecular orbital study

(2014) Frédéric A. Perras et al.   Chemical Science

Boron-Boron Multiple Bond in [B(NHC)]2: Towards Stable and Aromatic [B(NHC)]nRings

(2013) Truong Ba Tai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanisms of Reactions of Open-Shell, Heavier Group 14 Derivatives with Small Molecules: n−π* Back-Bonding in Isocyanide Complexes, C–H Activation under Ambient Conditions, CO Coupling, and Ancillary Molecular Interactions†This Award Article summarizes, including more recent results, one of the themes of a lecture presented on March 26th, 2012, at the 243rd Chemical Society National Meeting American in San Diego, CA, in receipt of the 2012 Award in Organometallic Chemistry sponsored by the Dow Corporation.

(2013) Zachary D. Brown et al.   INORGANIC CHEMISTRY

Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs

(2013) Muhammad Sajid et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stoichiometric Metal-Free Reduction of CO in Syn-Gas

(2013) Roman Dobrovetsky et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inorganic chemistry: A reducing role for boron

(2013) Polly L. Arnold   NATURE

Metal-free binding and coupling of carbon monoxide at a boron–boron triple bond

(2013) Holger Braunschweig et al.   Nature Chemistry

On the chemical bonding features in boron containing compounds: a combined QTAIM/ELF topological analysis

(2013) M. Esmaïl Alikhani   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Elucidation of the Forces Governing the Stereochemistry of Biphenyl

(2012) Jianfeng Jia et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Ambient-Temperature Isolation of a Compound with a Boron-Boron Triple Bond

(2012) H. Braunschweig et al.   SCIENCE

A Boron-Boron Triple Bond

(2012) G. Frenking et al.   SCIENCE

Interaction of Multiple Bonded and Unsaturated Heavier Main Group Compounds with Hydrogen, Ammonia, Olefins, and Related Molecules

(2011) Philip P. Power   ACCOUNTS OF CHEMICAL RESEARCH

Classical Valence Bond Approach by Modern Methods

(2011) Wei Wu et al.   CHEMICAL REVIEWS

Structures and Stabilities of Group 13 Adducts [(NHC)(EX3)] and [(NHC)2(E2Xn)] (E=B to In; X=H, Cl; n=4, 2, 0; NHC=N-Heterocyclic Carbene) and the Search for Hydrogen Storage Systems: A Theoretical Study

(2011) Nicole Holzmann et al.   CHEMISTRY-A EUROPEAN JOURNAL

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme

(2011) Mariusz P. Mitoraj et al.   INORGANIC CHEMISTRY

Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes

(2011) Jessica L. Smeltz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

(2011) Yirong Mo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Main-group elements as transition metals

(2010) Philip P. Power   NATURE

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene

(2009) Xinping Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

B2(BO)22-Diboronyl Diborene:  A Linear Molecule with a Triple Boron−Boron Bond

(2008) Si-Dian Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY