Electronic structure and optical properties of boron difluoride dibenzoylmethane F2Bdbm

The correlation between electronic structure and spectral features of boron dibenzoylmethane difluoride has been investigated by DFT (B3LYP5 functional, Ahlrichs def2-TZVPP basis set including polarization functions), UV and X-ray photoelectron spectroscopy. The results of quantum chemical simulation have been used for interpretation of spectral bands of photoelectron and absorption spectra.