Synthesis, computational and anti-oxidant studies of 2-[2-(4-arylamino)-4-phenylaminothiazol-5-oyl]naphthalene

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.