DFT study of an inner-sphere mechanism in the hydrogen transfer from a hydroxycyclopentadienyl ruthenium hydride to imines

Organometallics

Volumn 26, Issue 11, 2007, Pages 2840-2848

  Privalov, Timofei ^a   Samec, Joseph S M ^b   Bäckvall, Jan E ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; HYDROGEN; MATHEMATICAL MODELS; REACTION KINETICS;

HYDROGEN TRANSFER; IMINES; POLARIZABLE CONTINUUM SOLVENT MODEL; TRANSITION STATES;

RUTHENIUM COMPOUNDS;

EID: 34249938172     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om070169m     Document Type: Article

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