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Substituted 2-Phenacylbenzoxazole Difluoroboranes: Synthesis, Structure and Properties.

ABSTRACT: Novel fluorescent dyes such as benzoxazole-boron complexes, bearing ?-ketoiminate ligands, have been synthesized and characterized with a focus on the influence of a substituent on the basic photophysical properties. ¹H, ¹¹B, ¹³C, ¹⁵N, and ¹⁹F nuclear magnetic resonance (NMR) spectra of substituted 2-phenacylbenzoxazole difluoroboranes have been recorded and discussed. It is worth mentioning that a high correlation coefficient was found between ¹⁵N-NMR parameters and substituent constants. The photophysical properties of these new dyes have been investigated by fluorescence and ultraviolet-visible (UV-Vis) absorption spectroscopy. The geometry optimization, vibrational spectra, and the HOMO and LUMO energies were calculated based on density functional theory with the use of the B3LYP functional and 6-311++G(d,p) basis set.

SUBMITTER: Skotnicka A

PROVIDER: S-EPMC7699529 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Substituted 2-Phenacylbenzoxazole Difluoroboranes: Synthesis, Structure and Properties.

Skotnicka Agnieszka A Czeleń Przemysław P

Molecules (Basel, Switzerland) 20201119 22

Novel fluorescent dyes such as benzoxazole-boron complexes, bearing β-ketoiminate ligands, have been synthesized and characterized with a focus on the influence of a substituent on the basic photophysical properties. 1H, 11B, 13C, 15N, and 19F nuclear magnetic resonance (NMR) spectra of substituted 2-phenacylbenzoxazole difluoroboranes have been recorded and discussed. It is worth mentioning that a high correlation coefficient was found betw ...[more]

PMID: 33228150

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