Theoretical study of the role of solvent H2O in neopentyl and pinacol rearrangements

Journal of Computational Chemistry

Volumn 28, Issue 9, 2007, Pages 1561-1571

  Yamabe, Shinichi ^a   Tsuchida, Noriko ^a   Yamazaki, Shoko ^a  

^a NARA UNIVERSITY OF EDUCATION   (Japan)

Author keywords

Density functional calculations; Hydrogen bond; Neopentyl rearrangement; Pinacol rearrangement; Reaction mechanisms

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; HYDROLYSIS; SOLVENTS; SUBSTITUTION REACTIONS;

CARBOCATIONS; NEOPENTYL REARRANGEMENT; PINACOL REARRANGEMENT; WAGNER-MEERWEIN REARRANGEMENTS;

ALCOHOLS;

EID: 34249792668     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20690     Document Type: Article

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