UV-vis, IR spectra and Computational studies of charge transfer complex formed between Benzochromene and ?-Acceptors.

Three charge-transfer complexes formed between three ?-acceptors (picric acid, chloranilic acid and 2,3 – dichloro - 1,4 - naphthquinone) with benzo-chromene as donor were synthesized and characterized by electronic, IR spectroscopy and elemental analysis. Elemental analysis and photometric titration of investigation demonstrate that the molar ratio of the synthesized charge transfer complexes as 1: 2 ratios (donor:acceptor). The spectroscopic and physical data were estimated using Benesi-Hildebrand and its modification method in terms of formation constant (KCT), molar extinction coefficient (?CT), standard free energy (?G°), oscillator strength (f), ionization potential (IP) and transition dipole moment (?). Determination the energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) reveal that charge transfer are within the molecule.