The transition state for intramolecular atom exchange between hydride and dihydrogen ligands in cis-[Fe(PR3)4H(H2)]+ complexes. Trishydride or trihydrogen?

Journal of Physical Chemistry A

Volumn 106, Issue 25, 2002, Pages 6189-6192

  Jacobsen, Heiko ^a,b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b KemKom   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING INTERACTIONS; DIHYDROGEN LIGANDS; HYBRID METHODS; HYDRIDE LIGANDS; INTRAMOLECULAR ATOM EXCHANGE; TRANSITION STATE; TRIHYDROGEN MOIETY;

ACTIVATION ENERGY; ATOMIC PHYSICS; CALCULATIONS; COMPLEXATION; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

IRON COMPOUNDS;

EID: 0037183028     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0257404     Document Type: Article

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