Role of coordination geometry in dictating the barrier to hydride migration in d6 square-pyramidal iridium and rhodium pincer complexes

Journal of the American Chemical Society

Volumn 133, Issue 31, 2011, Pages 12274-12284

  Findlater, Michael ^a   Cartwright Sykes, Alison ^a   White, Peter S ^a   Schauer, Cynthia K ^a   Brookhart, Maurice ^a  

^a University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APICAL POSITIONS; BOTTOM FACE; C-H BOND; COMPUTATIONAL STUDIES; COORDINATION GEOMETRY; DIRECT MEASURES; DYNAMIC NMR; ENERGY DIFFERENCES; ENERGY SURFACE; EXCHANGE RATES; FREE ENERGY SURFACE; GLOBAL MINIMA; HIGH TEMPERATURE; HYDRIDE COMPLEXES; HYDRIDE LIGANDS; HYDRIDE MIGRATION; IR COMPLEXES; NMR SPECTRUM; OCTAHEDRAL GEOMETRY; PINCER COMPLEXES; RH COMPLEXES; SINGLE CRYSTAL X-RAY STRUCTURES; SITE EXCHANGE; TETRAKIS; TRANSITION STATE;

BENZENE; COORDINATION REACTIONS; CRYSTAL STRUCTURE; ETHYLENE; FREE ENERGY; GEOMETRY; HYDRIDES; IRIDIUM; IRIDIUM COMPOUNDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROPYLENE; RHODIUM;

RHODIUM COMPOUNDS;

ALKENE; AMIDE; BENZENE DERIVATIVE; ETHYLENE; HYDROGEN; IRIDIUM COMPLEX; LIGAND; PROPYLENE; RHODIUM COMPLEX;

ARTICLE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; PHASE TRANSITION; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ANALYSIS; SYNTHESIS; TEMPERATURE;

EID: 79961147943     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja204851x     Document Type: Article

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