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  • Title: Boron difluoride dibenzoylmethane derivatives: Electronic structure and luminescence.
    Author: Tikhonov SA, Vovna VI, Osmushko IS, Fedorenko EV, Mirochnik AG.
    Journal: Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan 15; 189():563-570. PubMed ID: 28866412.
    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.
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