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Fluorescence property and solvent effect on m-bromosalicylaldehyde derivative; insights from synthesis, characterization, antimicrobial activity and computational studies

Authors :
Priya, C. Geetha
Venkatraman, B.R.
Sowrirajan, S.
Elangovan, N.
Arumugam, Natarajan
Almansour, Abdulrahman I.
Mahalingam, Sakkarapalayam M.
Source :
Chemical Physics Impact; 20230101, Issue: Preprints
Publication Year :
2023

Abstract

•The compound was synthesized with reaction of 5-bromosalicylaldehyde and ethylenediamine.•Solvation study was done with DLPNO-CCSD(T) coupled cluster using water as the solvent.•The active sites and interaction were determined using molecular electrostatic potential, ELF, LOL, and RDG.•Electronic properties were analysed by UV-Visible spectrum and frontier molecular orbital analysis.•Compound is a good optical material.

Details

Language :
English
ISSN :
26670224
Issue :
Preprints
Database :
Supplemental Index
Journal :
Chemical Physics Impact
Publication Type :
Periodical
Accession number :
ejs64058268
Full Text :
https://doi.org/10.1016/j.chphi.2023.100323