A theoretical study of neighboring-group participation in thione-to-thiol rearrangement of xanthates. Molecular orbital calculation using a conductor-like screening model (COSMO) approach

Chemical and Pharmaceutical Bulletin

Volumn 49, Issue 11, 2001, Pages 1433-1439

  Yoshitake, Y ^a   Nakagawa, H ^a   Harano, K ^a  

^a KUMAMOTO UNIVERSITY   (Japan)

Author keywords

Ab initio; Ion pair; Neighboring group participation; PM3; Thione to thiol rearrangement; Xanthate

Indexed keywords

AZIRIDINE DERIVATIVE; THIOL; XANTHIC ACID DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL MODIFICATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; MODEL; THEORETICAL STUDY;

MODELS, CHEMICAL; MOLECULAR STRUCTURE; SOLVENTS; SULFHYDRYL COMPOUNDS; THIONES; XANTHENES;

EID: 0034760281     PISSN: 00092363     EISSN: None     Source Type: Journal    
DOI: 10.1248/cpb.49.1433     Document Type: Article

References (28)