Theoretical studies on the insertions of unsymmetrical alkynes into the metal-carbon bond of phosphanickelacycles: Electronic factors

Organometallics

Volumn 21, Issue 6, 2002, Pages 1278-1289

  Macgregor, Stuart A ^a   Wenger, Eric ^b  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ISOMERS; POLARIZATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

REGIOISOMERS;

ORGANOMETALLICS;

EID: 0038054236     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010795y     Document Type: Article

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65. In ref 17 analysis was not performed on the transition state stucture but rather a model in which the metal-alkyne distance was lengthened to 3 Å. This could possibly account for the different nature of the orbitals computed in the present study.