X-ray Diffraction and Photophysical Studies of Pyromellitic Dianhydride-Anthracene Molecular Charge Transfer Complex at 298K

A molecular charge transfer (CT) complex was characterized by crystal structure analysis, and photophysical studies, followed by theoretical calculations, utilizing anthracene as a donor and pyromellitic dianhydride (PMDA) as an acceptor.A (π-π) stacking interconnection is observed in the 1:1 PMDA-Anthracene charge transfer complex.The optimized geometry structures obtained from the density functional theory (DFT) calculation in the gas phase support the observed result.In pure and mixed solvents, an unusual decrease in wavelength was observed in steady state absorption and emission spectra with increasing solvent polarity.The binding constant for the PMDA-Anthracene charge transfer (CT) complex is determined to be in the order of 10 3 .