Exciplexes or ground state complexes of (dibenzoylmethanato)boron difluoride and benzene derivatives? A study of their optical properties revisited via liquid state investigations and structure calculations

Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations

“…[57][58][59][60][61] During the following decades, Lax's original concept proved to be a very fruitful tool in these and various related fields. 42,[62][63][64][65][66][67] that it is the oxygen-containing substituent that causes the second peak to appear in the ortho-and meta-isomers.…”

“…Recently, both time-dependent and time-independent approaches to calculations of vibronic absorption and emission band shapes have been developed. [37][38][39][40][41][42][43] A typical representative of this class of compounds, dibenzoylmethanatoboron difluoride (DBMBF 2 ), its derivatives, and complexes with some aromatic compounds were studied experimentally in detail 35,37,42 with the aim of using DBMBF 2 in optical chemical sensors for various aromatic compounds. In optical chemical sensors, the absorption or emission bandshape can serve as an analytical signal responding to the interaction of the chromophore with analytes or environment.…”

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] These approaches have been successfully applied to calculations of spectral band shapes for a large number of systems containing both inorganic [3][4][5][6][7] and organic [21][22][23][24][25][26][27][28] chromophores. The electronic absorption and fluorescence spectra of DBMBF 2 and its methyl, allyloxy, and alkoxysilyl derivatives were investigated in polar and nonpolar solvents, 35,42,44 and their fluorescence quantum yields, lifetimes, and vibronic structure were reported. 29,30 Therefore, the theoretical prediction of absorption or emission band shapes of various chromophores and their changes upon interaction with analytes is very important for the design and selection of materials for optical chemical sensors.…”

“…[32][33][34][35] In particular, these dyes exhibit high molar absorptivities and fluorescence quantum yields 36 and readily form exciplexes with aromatic compounds. [37][38][39][40][41][42][43] A typical representative of this class of compounds, dibenzoylmethanatoboron difluoride (DBMBF 2 ), its derivatives, and complexes with some aromatic compounds were studied experimentally in detail 35,37,42 with the aim of using DBMBF 2 in optical chemical sensors for detecting various aromatic compounds. The electronic absorption and fluorescence spectra of DBMBF 2 and its methyl, allyloxy, and alkoxysilyl derivatives were investigated in polar and nonpolar solvents, 35,42,44 and their fluorescence quantum yields, lifetimes, and vibronic structures were reported.…”

Synthesis and Photophysical Properties of Alkoxysilyl Derivatives of Dibenzoylmethanatoboron Difluoride

“…A distinctive feature of BF 2 bdks is their ability to form exciplexes in the first excited singlet states with aromatic hydrocarbons that have strong fluorescence with a fluorescence maximum shifted to longer wavelengths . The magnitude of the shift depends on the electron‐donating ability of the hydrocarbon.…”