A Comprehensive Study on Charge Transfer Complexes of Amino Acids: Experimental and Computational Studies of Charge Transfer Complexes of Amino Acids - Couverture souple

Kodadi, Shirish Kumar

 
9786203922875: A Comprehensive Study on Charge Transfer Complexes of Amino Acids: Experimental and Computational Studies of Charge Transfer Complexes of Amino Acids
Couverture souple
ISBN 10 : 6203922870 ISBN 13 : 9786203922875
Editeur : LAP LAMBERT Academic Publishing, 2021

Synopsis

It is important to realize the charge transfer process between biologically active molecules and inorganic or organic molecules because this collaboration can be used to elucidate biologically active molecule-receptor interactions. A broad spectrophotometric study was performed to describe the chemical process of amino acid complexation. The molecular structure, spectral properties, and interaction modes are derived from ultraviolet-visible light and infrared spectroscopy. Spectral parameters such as association constant (K), extinction coefficient (εmax), ionization potential (IP), the energy of the charge transfer complex (ECT), resonance energy (RN), dissociation energy (W), and standard Gibbs energy ( G0) have been calculated. A computational study has been carried out using advanced software to know the structural features. The calculation of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) helps us characterize the chemical reactivity and dynamic stability of molecules. A good agreement was found between the experimental and computed results.

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Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2021
Langue
anglais
ISBN 10 
6203922870
ISBN 13 
9786203922875
Reliure
Broché
Nombre de pages
64
Coordonnées du fabricant
non disponible
Personne responsable
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