DFT study of the transition states and products of methyl radical addition to olefins coordinated in an asymmetrical mode to [Cp2Zr(O tBu)]+: Predictions of reversed regioselectivities compared to the noncoordinated reactions

Organometallics

Volumn 28, Issue 22, 2009, Pages 6469-6479

  Hasanayn, Faraj ^a   El Makkaoui, Mohammed S ^a  

^a AMERICAN UNIVERSITY OF BEIRUT   (Lebanon)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ETHYLENE; REGIOSELECTIVITY; THERMODYNAMICS; ZIRCONIUM;

ALKYL RADICALS; ASYMMETRICAL MODE; COORDINATED REACTIONS; DFT STUDY; DOUBLE BONDS; KINETICS AND THERMODYNAMICS; METHYL RADICAL; REGIO-SELECTIVE; SUBSTITUTED CARBONS; TRANSITION STATE;

COORDINATION REACTIONS;

EID: 84961983865     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om900656t     Document Type: Article

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