Academic Journals Database
Disseminating quality controlled scientific knowledge

Stability and Molecular Structure of Some Vanadium Complexes Effective in Biological Systems: A Quantum Mechanical Study

ADD TO MY LIST
 
Author(s): Hakimelahi R.

Journal: International Journal of Chemical and Environmental Engineering
ISSN 2078-0737

Volume: 2;
Issue: 1;
Start page: 76;
Date: 2011;
VIEW PDF   PDF DOWNLOAD PDF   Download PDF Original page

Keywords: Vanadium complexes | Biological systems | Quantum mechanic | Stabilization energy | Geometry optimization

ABSTRACT
Some important vanadium(V), vanadium(III) and vanadyl complexes with bidentate, tridentate and four-dentate ligands in different coordination modes which are effective in several biological systems, especially as insulin mimetic agents are investigated. Due to importance of adequate thermodynamic stability for Vanadium compounds as insulin enhancing agents, the stability of these complexes are calculated . Quantum mechanical methods are used and the results show that vanadyl complexes which have phenolate, alcoholate, carboxylate especially when these donors join to a Schiff base donor, constitute the most stable complexes, it is clear that a four-dentate ligand with these donors is much more effective in stability. Deprotonated amide group with phenolate or carboxylate form very stable vanadyl complexes but amine or thiolate groups without any interference of Schiff base, phenolate, alcoholate or carboxylate donors, form less stable vanadyl complexes.

Tango Rapperswil
Tango Rapperswil

     Save time & money - Smart Internet Solutions