An ab initio molecular orbital study of the geometry of the dicationic Wallach rearrangement intermediate

Canadian Journal of Chemistry

Volumn 81, Issue 6, 2003, Pages 535-541

  Cox, Robin A ^a,c   Fung, David Y K ^a   Csizmadia, Imre G ^a   Buncel, Erwin ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b QUEEN S UNIVERSITY   (Canada)

^c NONE   (Canada)

Author keywords

Ab initio calculations; Acid catalysis; Azoxyarenes; Intermediate structure; Reaction intermediate; Reaction mechanism; Wallach rearrangement

Indexed keywords

BENZENE; NITROGEN; SUBSTITUTION REACTIONS;

MOLECULAR ORBITAL STUDY;

MOLECULAR STRUCTURE;

AB INITIO CALCULATION; ACIDITY; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFERENCE PAPER; ELECTRON TRANSPORT; GEOMETRY; MOLECULAR STABILITY; STRUCTURE ANALYSIS;

EID: 0043235927     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v03-049     Document Type: Conference Paper

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