NICS evaluation for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane


Zora M.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.681, pp.113-116, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 681
  • Publication Date: 2004
  • Doi Number: 10.1016/j.theochem.2004.05.011
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.113-116

Abstract

Aromaticity of transition structures for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane is evaluated on the basis of GIAO-HF/6-31 + G*//B3LYP/6-31G* calculated NICS values. (C) 2004 Elsevier B.V. All rights reserved.