A unified view of ethylene polymerization by d0 and d0fn transition metals. 1. Precursor compounds and olefin uptake energetics

Organometallics

Volumn 17, Issue 5, 1998, Pages 933-946

  Margl, Peter ^a   Deng, Liqun ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001395106     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9707578     Document Type: Article

References (73)

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66. +, for which the deformation energy is misleadingly large since there is no agostic bond present in the precursor but one is formed upon FS olefin complexation. Thus, the large deformation incurred on complexation overcompensates the contribution from tetrahedral-trigonal isomerism.
67. 67d,e At the present level of computational technology it is not practicable to give detailed estimates of the TΔS contribution to ethylene binding based on ab initio calculations for such a large sample as ours. Therefore, we will assume that previously measured or calculated TAS contributions are transferable,
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