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


Zora M.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.681, ss.113-116, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 681
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1016/j.theochem.2004.05.011
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.113-116

Özet

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.