Non linear optical properties of potent quinoline based schiff bases

Non linear optical properties of potent quinoline based schiff bases

Quinoline Schiff bases are notified for their extensive pharmacological applications which paved way for the continuous exploration of their properties by the chemists of various fields. The theoretical exploration of organic compounds finds new dimensions in the recent advances of science intend us...

Full description

Saved in:
Bibliographic Details
Published in:Materials today : proceedings Vol. 51; pp. 1746 - 1750
Main Authors: Sathya Priyadarshini, G., Edathil, Vidya, Selvi, Gopal
Format: Journal Article
Language:English
Published: Elsevier Ltd 01-01-2022
Subjects:
B3LYP (6-31G (d,p) basis level
Hydrazinoquinoline
NLO property
Quinoline
Schiff base
Schiff base
Quinoline
Hydrazinoquinoline
B3LYP (6-31G (d,p) basis level
NLO property
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Quinoline Schiff bases are notified for their extensive pharmacological applications which paved way for the continuous exploration of their properties by the chemists of various fields. The theoretical exploration of organic compounds finds new dimensions in the recent advances of science intend us to study the nonlinear optical behaviour of Schiff Bases. In this context, four series of substituted hydrazinoquinoline Schiff bases 1–4 [ 4-methyl-2-salicylidenehydrazinoquinoline (1), 4,6-dimethyl-2-salicylidene hydrazine quinoline (2), 6-chloro-4-methyl-2salicylidenehydrazinoquinoline (3), 4-methyl-6-methoxy-2-salicylidene hydrazine quinoline (4)] were synthesised and characterised by IR and 1H NMR spectral studies. The DFT studies of the synthesised compounds viz., Frontier Molecular Orbital analysis and first hyperpolarisabilty were carried out by using B3LYP functional 6-31G (d,p) basis level. From the DFT results, the first hyperpolarisability suggest that the studied compounds have good non-linear properties. The global reactivity descriptors value indicates that the synthesised compounds are hard with greater kinetic stability. Having lower band gap energy of 4.1 eV–3.73 eV and a low lying LUMO, the synthesised compounds might be a excellent NLO candidate and also act as superconductors, and may have prospective used in both technological as well as pharmaceutical related applications.
ISSN:2214-7853
2214-7853
DOI:10.1016/j.matpr.2020.11.911