Abstract
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
Current Organic Chemistry
Title: Theoretical Insights into Material Properties of Schiff Bases and Related Azo Compounds
Volume: 13 Issue: 2
Author(s): Iran Sheikhshoaie and Walter M. F. Fabian
Affiliation:
Keywords: Schiff Bases, Azo Compounds, computational chemistry, tautomerism, biomimetic reactions
Abstract: 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.
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Cite this article as:
Sheikhshoaie Iran and Fabian M. F. Walter, Theoretical Insights into Material Properties of Schiff Bases and Related Azo Compounds, Current Organic Chemistry 2009; 13 (2) . https://dx.doi.org/10.2174/138527209787193747
DOI https://dx.doi.org/10.2174/138527209787193747 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
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