CHARGE TRANSFER COMPLEXES: EXPERIMENTAL AND COMPUTATIONAL STUDIES: COMBINED EXPERIMENTAL AND COMPUTATIONAL STUDIES OF ORGANIC CHARGE TRANSFER COMPLEXES

The book entitled “Charge Transfer Complexes: Experimental and Computational Studies” ___________________________________________________________Chapter-I: This chapter presents the introduction of charge transfer complexes and a study of their experimental and computational analysis. Chapter-II: This chapter deals with the preparation of standard stock solutions of donors and acceptors and the synthesis of the solid CT complexes along with characterization techniques. Chapter-III: This chapter describes the charge transfer complex of benzhydryl piperazine as a donor with the π-acceptor of 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone has been studied spectrophotometrically in acetonitrile medium at different temperatures. DFT investigation evaluated the bond lengths, bond angles, Mulliken atomic charges, MEP maps, and HOMO-LUMO of CT complexes. Chapter-IV: This chapter describes new charge transfer complexes of 2-Ethyl -6-methylaniline as a donor with π-acceptors 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone (DDQ) and 2, 3, 5, 6-tetrachloro-p-benzoquinone (CHL) have been studied spectrophotometrically in acetonitrile solvent at room temperature.