Molecular Structure of N,N'-bis-disalyclidene-1,2-diaminobenzene and bis N,N'-p-chloro-salicylidene-1,2-diaminobenzene

Authors: Metin AYDIN, Çelik TARIMCI

Abstract: Modified Neglect of Diatomic Overlap and Extended H\"{u}ckel 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.