Synthesis, computational
and anti-oxidant studies of 2-[2-(4-arylamino)-4-phenylaminothiazol-5-oyl]naphthalene
Jebalenet J., Jenisha J. and Abbs Fen Reji T.F.
Res. J. Chem. Environ; Vol. 27(9); 8-16;
doi: https://doi.org/10.25303/2709rjce08016; (2023)
Abstract
The compound 2-[2-(4-arylamino)-4-phenylamino thiazol-5-oyl]naphthalene was synthesized
and characterized by different physico-chemical techniques such as IR, electronic
parameters, antioxidant studies etc. The geometrical and electronic characteristics
of 2-[2-(4-arylamino)-4-phenylaminothiazol-5-oyl]napht halene were calculated theoretically
using the Gaussian 09W software at the B3LYP/6-31G level of theory. The predicted
geometrical characteristics are close to those published for 2-[2-(4-arylamino)-4-phenylaminothiazol-5-oyl]naphthalene
with similar structures.
Geometrical parameters are dependent on the atom's size, bonding nature and charge
transfer according to optimization. The estimated MOs are helpful in determining
the optimised compounds' collective electronic characteristics. Energy gap, on the
other hand, is a measure of chemical reactivity, kinetic stability and polarizability.
