Substituent effects on tautomerization of oxepine to benzene oxide: A Hammett study via ab initio

Journal of Molecular Structure: THEOCHEM

Volumn 715, Issue 1-3, 2005, Pages 107-115

  Kassaee, M Z ^a   Arshadi, S ^a   Ahmadi Taheri, N ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Benzene oxide; DFT methods; Electronic effects; Hammett; MP2; Oxepine; Substituent effect; Valence tautomerizations

Indexed keywords

BENZENE DERIVATIVE; BROMINE; CHLORINE; CYANIDE; FLUORINE; HYDROGEN; NITROGEN DERIVATIVE; OXEPINE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL REACTION; ELECTRON; ENERGY; ENTHALPY; EQUILIBRIUM CONSTANT; STANDARDIZATION; SUBSTITUTION REACTION;

EID: 13944260595     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.11.015     Document Type: Article

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