1. ChemInform Abstract: Synthesis and Photophysical Properties of Alkoxysilyl Derivatives of Dibenzoylmethanatoboron Difluoride
- Author
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Natalia Voronina, Nikolay M. Surin, Yuriy N. Kononevich, Ivan B. Meshkov, Mikhail V. Alfimov, Aziz M. Muzafarov, V. A. Sazhnikov, Alexander A. Bagaturyants, and Andrei A. Safonov
- Subjects
chemistry.chemical_compound ,chemistry ,Hydrosilylation ,Bathochromic shift ,Difluoride ,Triethoxysilane ,Substituent ,Quantum yield ,Density functional theory ,General Medicine ,Photochemistry ,Fluorescence - Abstract
Alkoxysilyl derivatives of dibenzoylmethanatoboron difluoride (DBMBF2) are synthesized by the hydrosilylation reaction of the corresponding O-allyl derivatives of DBMBF2 with triethoxysilane. The photophysical properties of the synthesized O-allyl and alkoxysilyl derivatives are investigated. It is found that the absorption and fluorescence spectra of the DBMBF2 derivatives essentially depend on the position of the O-allyl or O-propyl alkoxysilyl substituent. The highest fluorescence quantum yield is obtained for the para-position, whereas the substitution at the meta-position gives the largest bathochromic shift in the fluorescence spectrum. Density functional theory calculations of the structures and time-dependent density functional theory calculations of the gas-phase excitation and emission energies of alkoxysilyl derivatives are performed at the PBE0/SVP level of theory. Some spectral features of para-, ortho-, and meta-substituted derivatives can be adequately explained by the overlapping of two absorption bands.
- Published
- 2013
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