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

Shirish Kumar Kodadi

ISBN 10: 6203922870 / ISBN 13: 9786203922875

Verlag: LAP LAMBERT Academic Publishing, 2021

Beschreibung

nach der Bestellung gedruckt Neuware - Printed after ordering - 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 ( max), 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.

Bestandsnummer des Verkäufers 9786203922875

Bibliografische Details

• Titel: A Comprehensive Study on Charge Transfer Complexes of Amino Acids : Experimental and Computational Studies of Charge Transfer Complexes of Amino Acids
• Verlag: LAP LAMBERT Academic Publishing
• Erscheinungsjahr: 2021
• Sprache: Englisch
• ISBN-10: 6203922870
• ISBN-13: 9786203922875
• Einband: Taschenbuch
• Zustand: Neu

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Inhaltsangabe

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.