NON LINEAR OPTICAL PROPERTIES OF POTENT QUINOLINE BASED SCHIFF BASES

Abstract

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.