Boron difluoride dibenzoylmethane derivatives: Electronic structure and luminescence.

Title Boron difluoride dibenzoylmethane derivatives: Electronic structure and luminescence.
Authors S.A. Tikhonov; V.I. Vovna; I.S. Osmushko; E.V. Fedorenko; A.G. Mirochnik
Journal Spectrochim Acta A Mol Biomol Spectrosc
DOI 10.1016/j.saa.2017.08.059
Abstract

Electronic structure and optical properties of boron difluoride dibenzoylmethanate and four of its derivatives have been studied by X-ray photoelectron spectroscopy, absorption and luminescence spectroscopy and quantum chemistry (DFT, TDDFT). The relative quantum luminescence yields have been revealed to correlate with charge transfers of HOMO-LUMO transitions, energy barriers of aromatic substituents rotation and the lifetime of excited states in the investigated complexes. The bathochromic shift of intensive bands in the optical spectra has been observed to occur when the functional groups are introduced into p-positions of phenyl cycles due to destabilizing HOMO levels. Calculated energy intervals between electronic levels correlate well with XPS spectra structure of valence and core electrons.

Citation S.A. Tikhonov; V.I. Vovna; I.S. Osmushko; E.V. Fedorenko; A.G. Mirochnik.Boron difluoride dibenzoylmethane derivatives: Electronic structure and luminescence.. Spectrochim Acta A Mol Biomol Spectrosc. 2018;189:563570. doi:10.1016/j.saa.2017.08.059

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