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Comparative Studies of Experimental and Simulated IR Spectra of Some Selected Flavonoid Compounds

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  • Kishor Arora

    (Government Postgraduate College, India.)

  • Anil Kumar Sharma

    (Govternment K.R.G. Postgraduate College, India.)

  • Anu Parmar

    (Vikrant Institute of Technology and Management, India.)

Abstract

Flavonoid compounds are a class of poly-phenolic secondary metabolites usually found in various plants. These compounds were of interest in the study of various workers in the past because of their utility as medicinal compounds. These compounds can be extracted from plants and workers have tried to synthesize them also. A lot of references related to the studies of these compounds are available in the literature to explore their structural and other related properties. This communication reports the studies on experimental and simulated IR spectra of some selected Flavonoid compounds based on quantum-chemical semi-empirical methods using different AM1 and PM3 approaches. Other related geometrical parameters obtained after optimizations are also reported. It has also been tried to study and include parameters related to the FMO approach theoretically for these compounds.

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Handle: RePEc:epw:ejchem:v:3:y:2022:i:3:id:5113
DOI: 10.24018/ejchem.2022.3.3.113
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