Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[ d ]thiazole-2(3 H )-imine and its para -substituted derivatives: Solvent and substituent effects

Natural bond orbital analysis, salvation, and substituent effects of electron-releasing (–CH 3 , –OH) and electron-withdrawing (–Cl, –NO 2 , –CF 3 ) groups at para positions on the molecular structure of synthesized 3-phenylbenzo[ d ]thiazole-2(3 H )-imine and its derivatives in selected solvents (a... View More