Arjunana, G (2024) Quantum chemical, spectroscopic and third order nonlinear optical investigations on 3-(3-bromophenyl)-1-imidazol-1-yl-propenone. Quantum chemical, spectroscopic and third order nonlinear optical investigations on 3-(3-bromophenyl)-1-imidazol-1-yl-propenone, 63. pp. 33-39.

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Abstract

Imidazole is a five-membered heterocyclic moiety that possesses three carbon, two nitrogen, four hydrogen atoms, and
two double bonds. It contains two nitrogen atoms, in which one nitrogen bears a hydrogen atom, and the other is called
pyrrole type nitrogen. Due to the presence of a positive charge on either of two nitrogen atom, it shows two equivalent
tautomeric forms. Among the different heterocyclic compounds, imidazole is better known due to its broad range of
chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. In this
study, 3-(3-bromophenyl)-1-imidazol-1-yl-propenone have been prepared and characterized in a systematic manner. For
synthesised molecule, atomic charges, frontier orbital energies and the thermodynamic properties have been calculated with
theoretical Density Functional method. The synthesised molecule has been subjected to NMR, FTIR and UV analysis. The
molecule shows interesting nonlinear optical (NLO) properties by the Z-scan technique. This study evokes the interest of
researchers regarding the development of imidazole based tempting NLO compounds that could be beneficial in modern hitech
applications.

Item Type: Article
Uncontrolled Keywords: Imidazole, DFT, FTIR, nonlinear optics
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 18 Apr 2024 06:18
Last Modified: 18 Apr 2024 06:18
URI: http://ir.psgcas.ac.in/id/eprint/2135

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