Electronic structure and optical properties of boron difluoride dibenzoylmethane F2Bdbm

Highlights: •The electronic structure of boron dibenzoylmethane difluoride has been investigated. •UV and X-ray photoelectron spectra have been interpreted. •DFT calculations have been used for interpretation of spectral bands. •The nature of F2Bdbm excited states has been established. -- Abstract: 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