Synthesis and photophysical properties of halogenated derivatives of (dibenzoylmethanato)boron difluoride.

Title Synthesis and photophysical properties of halogenated derivatives of (dibenzoylmethanato)boron difluoride.
Authors Y.N. Kononevich; N.M. Surin; V.A. Sazhnikov; E.A. Svidchenko; V.M. Aristarkhov; A.A. Safonov; A.A. Bagaturyants; M.V. Alfimov; A.M. Muzafarov
Journal Spectrochim Acta A Mol Biomol Spectrosc
DOI 10.1016/j.saa.2016.12.025
Abstract

A series of (dibenzoylmethanato)boron difluoride (BF2DBM) derivatives with a halogen atom in one of the phenyl rings at the para-position were synthesized and used to elucidate the effects of changing the attached halogen atom on the photophysical properties of BF2DBM. The room-temperature absorption and fluorescence maxima of fluoro-, chloro-, bromo- and iodo-substituted derivatives of BF2DBM in THF are red-shifted by about 2-10nm relative to the corresponding peaks of the parent BF2DBM. The fluorescence quantum yields of the halogenated BF2DBMs (except the iodinated derivative) are larger than that of the unsubstituted BF2DBM. All the synthesized compounds are able to form fluorescent exciplexes with benzene and toluene (emission maxima at ?em=433 and 445nm, respectively). The conformational structure and electronic spectral properties of halogenated BF2DBMs have been modeled by DFT/TDDFT calculations at the PBE0/SVP level of theory. The structure and fluorescence spectra of exciplexes were calculated using the CIS method with empirical dispersion correction.

Citation Y.N. Kononevich; N.M. Surin; V.A. Sazhnikov; E.A. Svidchenko; V.M. Aristarkhov; A.A. Safonov; A.A. Bagaturyants; M.V. Alfimov; A.M. Muzafarov.Synthesis and photophysical properties of halogenated derivatives of (dibenzoylmethanato)boron difluoride.. Spectrochim Acta A Mol Biomol Spectrosc. 2017;175:177184. doi:10.1016/j.saa.2016.12.025

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Boron

See more Boron products. Boron Bohr ModelBoron (atomic symbol: B, atomic number: 5) is a Block P, Group 13, Period 2 element with an atomic weight of 10.81. The number of electrons in each of boron's shells is 2, 3 and its electron configuration is [He] 2s2 2p1. The boron atom has a radius of 90 pm and a Van der Waals radius of 192 pm. Boron was discovered by Joseph Louis Gay-Lussac and Louis Jacques Thénard in 1808 and was first isolated by Humphry Davy later that year. Boron is classified as a metalloid is not found naturally on earth. Elemental BoronAlong with carbon and nitrogen, boron is one of the few elements in the periodic table known to form stable compounds featuring triple bonds. Boron has an energy band gap of 1.50 to 1.56 eV, which is higher than that of either silicon or germanium. The name Boron originates from a combination of carbon and the Arabic word buraqu meaning borax.

Fluorine

Fluorine is a Block P, Group 17, Period 2 element. Its electron configuration is [He]2s22p5. The fluorine atom has a covalent radius of 64 pm and its Van der Waals radius is 135 pm. In its elemental form, CAS 7782-41-4, fluorine gas has a pale yellow appearance. Fluorine was discovered by André-Marie Ampère in 1810. It was first isolated by Henri Moissan in 1886.

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