Theoretical study of the structures of Schiff base compounds and thermodynamic study of the tautomerism reactions by ab initio calculations

Theoretical study of the structures of Schiff base compounds and thermodynamic study of the tautomerism reactions by ab initio calculations

In this research, structures of M(BAE) (where M = VO(IV), Zn(II), Cu(II) and Ni (II), BAE = bis(acetylacetone)ethylenediimine), [Ni(BFE)], [Ni(BBE)] and [Ni(BCE)] (where BFE = bis(1,1,1-triflouroacetylacetone)ethylenediimine, BBE = bis(benzoylacetone)ethylenediimine and BCE = bis(3-hloroacetylaceton...

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Bibliographic Details
Main Authors: Ali Hossein Kianfar, Roghayeh Hashemi Fath
Format: Article
Language:English
Published: Egyptian Petroleum Research Institute 2017-12-01
Series:Egyptian Journal of Petroleum
Subjects:
Schiff base ligands
Theoretical study
Tautomerism reactions
X-ray data
Ab initio calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S1110062114200213
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