title: Nitrogen-Containing Analog of Dibenzoylmethanate of Boron Difluoride: Luminescence, Structure, Quantum Chemical Modeling, and Delay Fluorescence.
abstract: Boron difluoride of 3-amino-1,3-diphenyl-2-propene-1-onate (1) has been synthesized and its crystal structure has been determined. The comparative studies of 1 and its oxygen analog 1,3-diphenyl-1,3-dionate (dibenzoylmethanate) of boron difluoride (2) have been performed using the methods of stationary and time-resolved spectroscopy and quantum chemical modeling. It was established that at the transition from solutions to crystals, a bathochromic shift of the spectra and a significant increase of luminescence intensity of 1 take place. The luminescent properties of solutions of 1 and 2 are similar. The peculiarities of crystal packings of 1 and 2 are responsible for differences in crystals luminescent properties. For crystals of 2, one observes the luminescence of J-aggregates and excimers, while for 1, in which a dimer is an elementary structural fragment, only the excimer luminescence is registered. A delayed excimer fluorescence of the P-type was observed for crystals of 1 and 2 at room temperature. The intensity of the delayed fluorescence of 1 is 300-fold higher than that of 2. Graphical Abstract Luminescence of J-aggregates and the formation of excimers in crystals of 1 and 2.
authors.affiliation: Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp., 100-letiya Vladivostoka, Vladivostok, Russian Federation, 690022.|Far Eastern Federal University, 8 Sukhanova Str, Vladivostok, Russian Federation, 690600.
authors.forename: Elena V
authors.initials: EV
authors.lastname: Fedorenko
authors.affiliation: Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp., 100-letiya Vladivostoka, Vladivostok, Russian Federation, 690022. tretyakova_galin@list.ru.|Far Eastern Federal University, 8 Sukhanova Str, Vladivostok, Russian Federation, 690600. tretyakova_galin@list.ru.
authors.forename: Galina O
authors.initials: GO
authors.lastname: Тretyakova
authors.affiliation: Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp., 100-letiya Vladivostoka, Vladivostok, Russian Federation, 690022.
authors.forename: Anatolii G
authors.initials: AG
authors.lastname: Mirochnik
authors.affiliation: Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 159, Prosp., 100-letiya Vladivostoka, Vladivostok, Russian Federation, 690022.
authors.forename: Anton Yu
authors.initials: AY
authors.lastname: Beloliptsev
authors.affiliation: Far Eastern Federal University, 8 Sukhanova Str, Vladivostok, Russian Federation, 690600.
authors.forename: Irina V
authors.initials: IV
authors.lastname: Svistunova
authors.affiliation: Photochemistry Center, Russian Academy of Sciences, 7A, b. 1 Novatorov Str, Moscow, Russian Federation, 119421.
authors.forename: Viacheslav A
authors.initials: VA
authors.lastname: Sazhnikov
authors.affiliation: Photochemistry Center, Russian Academy of Sciences, 7A, b. 1 Novatorov Str, Moscow, Russian Federation, 119421.
authors.forename: Levon S
authors.initials: LS
authors.lastname: Atabekyan
keywords: Crystal structure; Delayed fluorescence; Excimer; Luminescence; Quantum chemical modeling; β-diketonate of boron difluoride; β-ketoiminate of boron difluoride