Theoretical Insights into Material Properties of Schiff Bases and Related Azo Compounds

Author(s): Iran Sheikhshoaie, Walter M. F. Fabian

Journal Name: Current Organic Chemistry

Volume 13 , Issue 2 , 2009

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A brief overview of computational chemistry methods for the design of Schiff base derivatives with certain materials properties is presented. The problem of azo – hydrazo or imino enol – enaminone tautomerism, especially calculations on its influence on dying properties/dye stability of hydroxy azo dyes is described. Design strategies for nonlinear optic materials based on Schiff bases and their metal complexes, guided by semi-empirical INDO/1 and, partly, DFT calculations as well as computational results for Schiff base metal complexes as catalysts for a variety of organic and biomimetic reactions are discussed. Insights from theoretical methods into the aggregation/self-assembly behaviour of Schiff bases and their complexes are reviewed.

Keywords: Schiff Bases, Azo Compounds, computational chemistry, tautomerism, biomimetic reactions

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Article Details

Year: 2009
Page: [149 - 171]
Pages: 23
DOI: 10.2174/138527209787193747
Price: $58

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