The Structure of [ReH2(H2)(CO)(PMe3) 3]+ Revisited

Organometallics

Volumn 22, Issue 24, 2003, Pages 5148-5151

  Gusev, Dmitry G ^a  

^a WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

INTRAMOLECULAR EXCHANGE; LIGANDS;

CHEMICAL BONDS; COMPLEXATION; HYDROGEN; ISOMERS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION;

ORGANOMETALLICS;

EID: 0345306579     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om034017c     Document Type: Article

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18. 3 in the axial sites of the bipyramidal geometry. The energy of 2d, calculated at the mPWlPW91/bs2 level, is 12.9 kcal/mol relative to that of 2b. Full computational details and a figure showing the structure of 2d have been included in the Supporting Information.
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