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N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour. / Motverov, Maxim V.; Lugovik, Kseniya I.; Vataru, Galina V. et al.

In: Dyes and Pigments, Vol. 208, 110848, 12.2022.

Research output: Contribution to journal › Article › peer-review

Harvard

Motverov, MV, Lugovik, KI, Vataru, GV, Minin, AS, Pozdina, VA, Slepukhin, PA, Benassi, E & Belskaya, NP 2022, 'N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour', Dyes and Pigments, vol. 208, 110848. https://doi.org/10.1016/j.dyepig.2022.110848

APA

Motverov, M. V., Lugovik, K. I., Vataru, G. V., Minin, A. S., Pozdina, V. A., Slepukhin, P. A., Benassi, E., & Belskaya, N. P. (2022). N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour. Dyes and Pigments, 208, [110848]. https://doi.org/10.1016/j.dyepig.2022.110848

Vancouver

Motverov MV, Lugovik KI, Vataru GV, Minin AS, Pozdina VA, Slepukhin PA et al. N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour. Dyes and Pigments. 2022 Dec;208:110848. doi: 10.1016/j.dyepig.2022.110848

Author

Motverov, Maxim V. ; Lugovik, Kseniya I. ; Vataru, Galina V. et al. / N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour. In: Dyes and Pigments. 2022 ; Vol. 208.

BibTeX

@article{4d01a9e33a5b4bb5aa8d31745d5d2b9c,
title = "N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour",
abstract = "Twenty-six examples of 2,2-difluoro-3,6-diaryl-2,3-dihydro-1,3,2-oxazaborinines were synthesised at 42–98% yield from commercially available reagents with a set of simple procedures and were structurally fully characterised by 1H, 13C, 19F, and 11B NMR spectroscopy and single-crystal X-ray diffraction. Quantum chemical calculations at (Time-Dependent) Density Functional Theory ((TD)-DFT) level were performed to study structural and electronic properties of these new N,O-boron complexes with variable structures. A comprehensive experimental and computational investigation of the photophysical properties of these BF2-complexes showed that they are emissive in solutions and have a pronounced fluorescence in the solid state (up to 100%). They also demonstrated aggregation-induced emission enhancement (AIEE) effect, with a quantum yield up to 29%, blue–green-yellow emissions and good photostability. The dynamic light scattering (DLS) experiments confirmed the formation of nanoparticles in DMSO-water and EtOH-water mixtures. Confocal laser detection revealed that these BF2-complexes may penetrate living cells and accumulate in the endoplasmic reticulum.",
keywords = "Aggregation-induced emission enhancement (AIEE), BF-Complex, Density functional theory, Fluorescence, Solid state emission, BF2-Complex",
author = "Motverov, {Maxim V.} and Lugovik, {Kseniya I.} and Vataru, {Galina V.} and Minin, {Artem S.} and Pozdina, {Varvara A.} and Slepukhin, {Pavel A.} and Enrico Benassi and Belskaya, {Nataliya P.}",
note = "Funding Information: M.V.M., K.I.L., A.S.M., and N.P.B. thank Russian Science Foundation (project 20-13-00089 ) for financially supporting. This work was performed using the equipment of the Shared Research Centre of Scientific Equipment SRC IIP UrB RAS. We also gratefully acknowledge the Siberian Branch of the Russian Academy of Sciences ( SB RAS ) Siberian Supercomputer Centre for providing supercomputer facilities. Publisher Copyright: {\textcopyright} 2022 Elsevier Ltd",
year = "2022",
month = dec,
doi = "10.1016/j.dyepig.2022.110848",
language = "English",
volume = "208",
journal = "Dyes and Pigments",
issn = "0143-7208",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - N,O-bidentate BF2-enaminone complexes: Synthesis, electronic structure, photophysical properties, and biological behaviour

AU - Motverov, Maxim V.

AU - Lugovik, Kseniya I.

AU - Vataru, Galina V.

AU - Minin, Artem S.

AU - Pozdina, Varvara A.

AU - Slepukhin, Pavel A.

AU - Benassi, Enrico

AU - Belskaya, Nataliya P.

N1 - Funding Information: M.V.M., K.I.L., A.S.M., and N.P.B. thank Russian Science Foundation (project 20-13-00089 ) for financially supporting. This work was performed using the equipment of the Shared Research Centre of Scientific Equipment SRC IIP UrB RAS. We also gratefully acknowledge the Siberian Branch of the Russian Academy of Sciences ( SB RAS ) Siberian Supercomputer Centre for providing supercomputer facilities. Publisher Copyright: © 2022 Elsevier Ltd

PY - 2022/12

Y1 - 2022/12

N2 - Twenty-six examples of 2,2-difluoro-3,6-diaryl-2,3-dihydro-1,3,2-oxazaborinines were synthesised at 42–98% yield from commercially available reagents with a set of simple procedures and were structurally fully characterised by 1H, 13C, 19F, and 11B NMR spectroscopy and single-crystal X-ray diffraction. Quantum chemical calculations at (Time-Dependent) Density Functional Theory ((TD)-DFT) level were performed to study structural and electronic properties of these new N,O-boron complexes with variable structures. A comprehensive experimental and computational investigation of the photophysical properties of these BF2-complexes showed that they are emissive in solutions and have a pronounced fluorescence in the solid state (up to 100%). They also demonstrated aggregation-induced emission enhancement (AIEE) effect, with a quantum yield up to 29%, blue–green-yellow emissions and good photostability. The dynamic light scattering (DLS) experiments confirmed the formation of nanoparticles in DMSO-water and EtOH-water mixtures. Confocal laser detection revealed that these BF2-complexes may penetrate living cells and accumulate in the endoplasmic reticulum.

AB - Twenty-six examples of 2,2-difluoro-3,6-diaryl-2,3-dihydro-1,3,2-oxazaborinines were synthesised at 42–98% yield from commercially available reagents with a set of simple procedures and were structurally fully characterised by 1H, 13C, 19F, and 11B NMR spectroscopy and single-crystal X-ray diffraction. Quantum chemical calculations at (Time-Dependent) Density Functional Theory ((TD)-DFT) level were performed to study structural and electronic properties of these new N,O-boron complexes with variable structures. A comprehensive experimental and computational investigation of the photophysical properties of these BF2-complexes showed that they are emissive in solutions and have a pronounced fluorescence in the solid state (up to 100%). They also demonstrated aggregation-induced emission enhancement (AIEE) effect, with a quantum yield up to 29%, blue–green-yellow emissions and good photostability. The dynamic light scattering (DLS) experiments confirmed the formation of nanoparticles in DMSO-water and EtOH-water mixtures. Confocal laser detection revealed that these BF2-complexes may penetrate living cells and accumulate in the endoplasmic reticulum.

KW - Aggregation-induced emission enhancement (AIEE)

KW - BF-Complex

KW - Density functional theory

KW - Fluorescence

KW - Solid state emission

KW - BF2-Complex

UR - http://www.scopus.com/inward/record.url?scp=85140064005&partnerID=8YFLogxK

U2 - 10.1016/j.dyepig.2022.110848

DO - 10.1016/j.dyepig.2022.110848

M3 - Article

AN - SCOPUS:85140064005

VL - 208

JO - Dyes and Pigments

JF - Dyes and Pigments

SN - 0143-7208

M1 - 110848

ER -

ID: 38203180