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X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes. / Gatilov, Yu V.; Mezhenkova, T. V.; Karpov, V. M.

In: Journal of Structural Chemistry, Vol. 59, No. 2, 01.03.2018, p. 449-454.

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

Harvard

Gatilov, YV, Mezhenkova, TV & Karpov, VM 2018, 'X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes', Journal of Structural Chemistry, vol. 59, no. 2, pp. 449-454. https://doi.org/10.1134/S0022476618020282

APA

Gatilov, Y. V., Mezhenkova, T. V., & Karpov, V. M. (2018). X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes. Journal of Structural Chemistry, 59(2), 449-454. https://doi.org/10.1134/S0022476618020282

Vancouver

Gatilov YV, Mezhenkova TV, Karpov VM. X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes. Journal of Structural Chemistry. 2018 Mar 1;59(2):449-454. doi: 10.1134/S0022476618020282

Author

Gatilov, Yu V. ; Mezhenkova, T. V. ; Karpov, V. M. / X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes. In: Journal of Structural Chemistry. 2018 ; Vol. 59, No. 2. pp. 449-454.

BibTeX

@article{3024fafecb79423ab061f2253d67f083,
title = "X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes",
abstract = "The molecular and crystal structure of perfluoro-9,10-diphenylanthracene and its perfluorinated dihydro derivatives (9,10-diphenyl-1,4-dihydroanthracene, 9,10-diphenyl-2,9-dihydroanthracene, and cis,trans- 9,10-diphenyl-9,10-dihydroanthracenes) is determined by single crystal X-ray diffraction. 9,10-Diphenyl- 2,9-dihydroanthracene is analyzed in cocrystal with 9,10-diphenyl-1,4-dihydroanthracene (2:1). It is shown that in the studied compounds the angles between the planes of the phenyl rings and the anthracene core are close to 90°. According to the DFT/B3LYP/6-31G(d) calculations, 9,10-diphenyl-1,4-dihydroanthracene is most thermodynamically stable among the studied dihydroanthracenes. There are C–F…π interactions and no π-stacking interactions in the crystals of the studied compounds.",
keywords = "intermolecular interactions, perfluoro-9,10-diphenylanthracene, perfluoro-9,10-diphenyldihydroanthracene, quantum chemical calculations, single crystal X-ray diffraction, supramolecular architecture, SYSTEM, ELECTRON, MOBILITY, CRYSTAL-STRUCTURE, ATOM, LIGHT-EMITTING-DIODES, ORGANIC SEMICONDUCTOR, FLUORINE, TRANSPORT PROPERTY",
author = "Gatilov, {Yu V.} and Mezhenkova, {T. V.} and Karpov, {V. M.}",
year = "2018",
month = mar,
day = "1",
doi = "10.1134/S0022476618020282",
language = "English",
volume = "59",
pages = "449--454",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",
number = "2",

}

RIS

TY - JOUR

T1 - X-Ray Diffraction Study of Perfluoro- 9,10-Diphenylanthracene and Perfluoro- 9,10-Diphenyldihydroanthracenes

AU - Gatilov, Yu V.

AU - Mezhenkova, T. V.

AU - Karpov, V. M.

PY - 2018/3/1

Y1 - 2018/3/1

N2 - The molecular and crystal structure of perfluoro-9,10-diphenylanthracene and its perfluorinated dihydro derivatives (9,10-diphenyl-1,4-dihydroanthracene, 9,10-diphenyl-2,9-dihydroanthracene, and cis,trans- 9,10-diphenyl-9,10-dihydroanthracenes) is determined by single crystal X-ray diffraction. 9,10-Diphenyl- 2,9-dihydroanthracene is analyzed in cocrystal with 9,10-diphenyl-1,4-dihydroanthracene (2:1). It is shown that in the studied compounds the angles between the planes of the phenyl rings and the anthracene core are close to 90°. According to the DFT/B3LYP/6-31G(d) calculations, 9,10-diphenyl-1,4-dihydroanthracene is most thermodynamically stable among the studied dihydroanthracenes. There are C–F…π interactions and no π-stacking interactions in the crystals of the studied compounds.

AB - The molecular and crystal structure of perfluoro-9,10-diphenylanthracene and its perfluorinated dihydro derivatives (9,10-diphenyl-1,4-dihydroanthracene, 9,10-diphenyl-2,9-dihydroanthracene, and cis,trans- 9,10-diphenyl-9,10-dihydroanthracenes) is determined by single crystal X-ray diffraction. 9,10-Diphenyl- 2,9-dihydroanthracene is analyzed in cocrystal with 9,10-diphenyl-1,4-dihydroanthracene (2:1). It is shown that in the studied compounds the angles between the planes of the phenyl rings and the anthracene core are close to 90°. According to the DFT/B3LYP/6-31G(d) calculations, 9,10-diphenyl-1,4-dihydroanthracene is most thermodynamically stable among the studied dihydroanthracenes. There are C–F…π interactions and no π-stacking interactions in the crystals of the studied compounds.

KW - intermolecular interactions

KW - perfluoro-9,10-diphenylanthracene

KW - perfluoro-9,10-diphenyldihydroanthracene

KW - quantum chemical calculations

KW - single crystal X-ray diffraction

KW - supramolecular architecture

KW - SYSTEM

KW - ELECTRON

KW - MOBILITY

KW - CRYSTAL-STRUCTURE

KW - ATOM

KW - LIGHT-EMITTING-DIODES

KW - ORGANIC SEMICONDUCTOR

KW - FLUORINE

KW - TRANSPORT PROPERTY

UR - http://www.scopus.com/inward/record.url?scp=85048220873&partnerID=8YFLogxK

U2 - 10.1134/S0022476618020282

DO - 10.1134/S0022476618020282

M3 - Article

AN - SCOPUS:85048220873

VL - 59

SP - 449

EP - 454

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 2

ER -

ID: 13846128