Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure

Dihydrogen Complexation

(2016) Robert H. Crabtree   CHEMICAL REVIEWS

Complexes of ambiphilic ligands: reactivity and catalytic applications

(2016) Ghenwa Bouhadir et al.   CHEMICAL SOCIETY REVIEWS

Non-precious metal complexes with an anionic PCP pincer architecture

(2016) Sathiyamoorthy Murugesan et al.   DALTON TRANSACTIONS

Nickel and Iron Pincer Complexes as Catalysts for the Reduction of Carbonyl Compounds

(2015) Sumit Chakraborty et al.   ACCOUNTS OF CHEMICAL RESEARCH

A CH2Cl2 complex of a [Rh(pincer)]+ cation

(2015) Gemma M. Adams et al.   DALTON TRANSACTIONS

Impact of Coordination Geometry, Bite Angle, and Trans Influence on Metal–Ligand Covalency in Phenyl-Substituted Phosphine Complexes of Ni and Pd

(2015) Courtney M. Donahue et al.   INORGANIC CHEMISTRY

Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6x– (x = 3, 2)

(2015) Matthias W. Löble et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bond Activation and Catalysis by Ruthenium Pincer Complexes

(2014) Chidambaram Gunanathan et al.   CHEMICAL REVIEWS

Ruthenium pincer complexes: Ligand design and complex synthesis

(2014) Hussein A. Younus et al.   COORDINATION CHEMISTRY REVIEWS

Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M–S bonding for MS42−(M = Cr, Mo, W) dianions

(2014) Angela C. Olson et al.   DALTON TRANSACTIONS

Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates

(2014) Courtney M. Donahue et al.   DALTON TRANSACTIONS

Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics

(2013) Moran Feller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies

(2013) Marc D. Walter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy

(2013) Liam P. Spencer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory

(2013) Stefan G. Minasian et al.   Chemical Science

Dihydrogen Complexes of Iridium and Rhodium

(2012) Michael Findlater et al.   INORGANIC CHEMISTRY

Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory of Dithiophosphinate Extractants: Minor Actinide Selectivity and Electronic Structure Correlations

(2012) Scott R. Daly et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Mononuclear Fe(III) Single Molecule Magnet with a 3/2↔5/2 Spin Crossover

(2012) Susanne Mossin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

(2012) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Donor–Acceptor Properties of Bidentate Phosphines. DFT Study of Nickel Carbonyls and Molecular Dihydrogen Complexes

(2012) Charity Flener Lovitt et al.   ORGANOMETALLICS

Coordination Versatility of sp3-Hybridized Pincer Ligands toward Ligand–Metal Cooperative Catalysis

(2012) Dmitri Gelman et al.   ACS Catalysis

Dehydrogenation and Related Reactions Catalyzed by Iridium Pincer Complexes

(2011) Jongwook Choi et al.   CHEMICAL REVIEWS

Cleavage of unreactive bonds with pincer metal complexes

(2011) Martin Albrecht et al.   DALTON TRANSACTIONS

Symmetrical and unsymmetrical pincer complexes with group 10 metals: synthesis via aryl C–H activation and some catalytic applications

(2011) Jun-Long Niu et al.   DALTON TRANSACTIONS

Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes

(2011) Sabuj Kundu et al.   INORGANIC CHEMISTRY

The quest for stable σ-methane complexes: computational and experimental studies

(2011) Marc D. Walter et al.   NEW JOURNAL OF CHEMISTRY

A Dearomatized Anionic PNP Pincer Rhodium Complex: C–H and H–H Bond Activation by Metal–Ligand Cooperation and Inhibition by Dinitrogen

(2011) Leonid Schwartsburd et al.   ORGANOMETALLICS

[Rh{NC5H3-2,6-(CH2PtBu2)2}(PCy3)][BArF4]: A Latent Low-Coordinate Rhodium(I) PNP Pincer Compound

(2011) Adrian B. Chaplin et al.   ORGANOMETALLICS

Catalysis by Palladium Pincer Complexes

(2010) Nicklas Selander et al.   CHEMICAL REVIEWS

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

Boryl-Based Pincer Systems: New Avenues in Boron Chemistry

(2009) Jarl Ivar van der Vlugt   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Trends in Covalency for d- and f-Element Metallocene Dichlorides Identified Using Chlorine K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

(2009) Stosh A. Kozimor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis, Structure, and Reactivity of Nitrosyl Pincer-Type Rhodium Complexes

(2009) Carina Gaviglio et al.   ORGANOMETALLICS

Characterization of a Rhodium(I)  -Methane Complex in Solution

(2009) W. H. Bernskoetter et al.   SCIENCE

Covalency Trends in Group IV Metallocene Dichlorides. Chlorine K-Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory

(2008) Stosh A. Kozimor et al.   INORGANIC CHEMISTRY

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

Competitive C−I versus C−CN Reductive Elimination from a RhIIIComplex. Selectivity is Controlled by the Solvent

(2008) Moran Feller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing the Electronic Structures of [Cu2(μ-XR2)]n+Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)

(2008) Seth B. Harkins et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural, Spectroscopic, and Theoretical Elucidation of a Redox-Active Pincer-Type Ancillary Applied in Catalysis

(2008) Debashis Adhikari et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water

(2008) Susan Kloek Hanson et al.   ORGANOMETALLICS