Electronic Structure and Physico-Chemical Property Relationship for Thiazole Derivatives

Salah Belaidi; Radhia Mazri; Houmam Belaidi; Touhami Lanez; Djemoui Bouzidi

doi:10.14233/ajchem.2013.15199

Issue

Vol. 25 No. 16 (2013): Vol 25 Issue 16

Issue Published : 9 October 2013

This work is licensed under a Creative Commons Attribution 4.0 International License.

Electronic Structure and Physico-Chemical Property Relationship for Thiazole Derivatives

https://doi.org/10.14233/ajchem.2013.15199

Salah Belaidi

Group of Computational and Pharmaceutical Chemistry, LMCE Laboratory, Department of Chemistry, Faculty of Sciences, University of Biskra, Algeria

Radhia Mazri

roup of Computational and Pharmaceutical Chemistry, LMCE Laboratory, Department of Chemistry, Faculty of Sciences, University of Biskra, Algeria

Houmam Belaidi

roup of Computational and Pharmaceutical Chemistry, LMCE Laboratory, Department of Chemistry, Faculty of Sciences, University of Biskra, Algeria

Touhami Lanez

Chemistry Department, University of El-Oued, B.P.789, El-Oued 39000, Algeria

Djemoui Bouzidi

Scientific Approach Institute, Waterman Ave Suite 5 1264, San Bernardino, CA 92408, USA

Corresponding Author(s) : Salah Belaidi

salah_belaidi@hotmail.com

Asian Journal of Chemistry, Vol. 25 No. 16 (2013): Vol 25 Issue 16
Article Published : 9 October 2013

Abstract

Electronic structure, effect of the substitution and structure physico-chemical property relationship for thiazole derivatives, has been studied by ab initio and DFT method. In the present work, the calculated values, i.e., net charges, bond lengths, dipole moments, electron-affinities, heats of formation and QSAR properties, are reported and discussed in terms of the reactivity of thiazole derivatives.

Keywords

Thiazole Structure DFT ab initio QSAR

(1)

Belaidi, S.; Mazri, R.; Belaidi, H.; Lanez, T.; Bouzidi, D. Electronic Structure and Physico-Chemical Property Relationship for Thiazole Derivatives. ajc 2013, 25, 9241-9245.