Molecular structure of N,N′-bis-disalyclidene-1,2-diaminobenzene and bis N,N′-p-chloro-salicylidene-1,2-diaminobenzene

Aydin M., Tarimci Ç.

Turkish Journal of Physics, vol.20, no.2, pp.153-161, 1996 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 20 Issue: 2
  • Publication Date: 1996
  • Journal Name: Turkish Journal of Physics
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.153-161
  • Ankara University Affiliated: Yes

Abstract

Modified Neglect of Diatomic Overlap and Extended Hückel molecular orbital (MO) calculation were done on title molecules utilizing optimized x- ray crystallographic data. The structural comparence were made between x- ray results and MO calculations on the molecules. The net charge distribution, dipole moments and heat of formation were listed.