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Volumn 42, Issue 4, 2013, Pages 927-934

A computational study of the CO dissociation in cyclopentadienyl ruthenium complexes relevant to the racemization of alcohols

(5) Stewart, Beverly a,b Nyhlen, Jonas a Martín Matute, Belén a Bäckvall, Jan E a Privalov, Timofei a

a STOCKHOLM UNIVERSITY (Sweden)

b UNIVERSITY OF COIMBRA (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CO DISSOCIATIONS; CO LIGANDS; COMPUTATIONAL STUDIES; CYCLOPENTADIENYLS; DFT CALCULATION; DONOR GROUPS; HETEROATOMS; ISOTOPICALLY LABELED; POTENTIAL ENERGY CURVES; POTENTIAL ENERGY PROFILES; RELATIVE ENERGIES; ROOM TEMPERATURE; RUTHENIUM COMPLEXES; SEC-ALCOHOLS; TOTAL ENERGY; TRANSIENT STRUCTURE; TRANSITION STATE;

CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; LIGANDS; POTENTIAL ENERGY; RUTHENIUM;

RUTHENIUM COMPOUNDS;

ALCOHOL DERIVATIVE; CARBON MONOXIDE; COORDINATION COMPOUND; RUTHENIUM;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

ALCOHOLS; CARBON MONOXIDE; CATALYSIS; COORDINATION COMPLEXES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; RUTHENIUM; THERMODYNAMICS;

EID: 84871942871 PISSN: 14779226 EISSN: 14779234 Source Type: Journal
DOI: 10.1039/c2dt31919e Document Type: Article

Times cited : (18)

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