Sathyanarayanamoorthi, V (2017) Theoretical Studies of Colvent Effect for Oxindole Derivatives Using Polarizable Continuum Model. ORIENTAL JOURNAL OF CHEMISTRY, 33 (2). pp. 752-759. ISSN 0970-020 X

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Abstract

Oxindole derivatives which are commercially available have got antiviral, antifungal,
antibacterial, anticancer, anti-inflammatory, antihypertensive, and anticonvulsant activities. The
solvation analysis of oxindole derivatives has been carried out using B3LYP procedure with 6-311++G
basis set using ten solvents to compute the electrostatic interaction, repulsive, dispersive energy and
cavitation energy respectively. Studies of the electrostatic interaction of four solutes were satisfactorily
correlated with dielectric constants of polar solvents. Free energy values for all the four solutes in both
polar and non polar solvents were found to be negative. The negative value suggests that dissolution
process in thermodynamically are feasible for all the four solutes in the investigated solvent

Item Type: Article
Uncontrolled Keywords: Free energy, Density Functional Theory,Oxindole, Solvation Analysis.
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 06 Apr 2023 06:12
Last Modified: 06 Apr 2023 06:13
URI: http://ir.psgcas.ac.in/id/eprint/1853

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