X-RAY DIFFRACTION STUDY OF PERFLUORO-9,10-DIPHENYLANTHRACENE AND PERFLUORO-9,10-DIPHENYLDIHYDROANTHRACENES Full article
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Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Output data | Year: 2018, Volume: 59, Number: 2, Pages: 449-454 Pages count : 6 DOI: 10.1134/S0022476618020282 | ||||
| Tags | perfluoro-9,10-diphenylanthracene; perfluoro-9,10-diphenyldihydroanthracene; single crystal X-ray diffraction; intermolecular interactions; quantum chemical calculations; supramolecular architecture | ||||
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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 degrees. 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 center dot center dot center dot pi interactions and no pi-stacking interactions in the crystals of the studied compounds.
Cite:
Gatilov Y.V.
, Mezhenkova T.,.V.
, Karpov V.M.
X-RAY DIFFRACTION STUDY OF PERFLUORO-9,10-DIPHENYLANTHRACENE AND PERFLUORO-9,10-DIPHENYLDIHYDROANTHRACENES
Journal of Structural Chemistry. 2018. V.59. N2. P.449-454. DOI: 10.1134/S0022476618020282 WOS Scopus РИНЦ
X-RAY DIFFRACTION STUDY OF PERFLUORO-9,10-DIPHENYLANTHRACENE AND PERFLUORO-9,10-DIPHENYLDIHYDROANTHRACENES
Journal of Structural Chemistry. 2018. V.59. N2. P.449-454. DOI: 10.1134/S0022476618020282 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Гатилов Ю.В.
, Меженкова Т.В.
, Карпов В.М.
РЕНТГЕНОСТРУКТУРНОЕ ИССЛЕДОВАНИЕ ПЕРФТОР-9,10-ДИФЕНИЛАНТРАЦЕНА И ПЕРФТОР-9,10-ДИФЕНИЛДИГИДРОАНТРАЦЕНОВ
Журнал структурной химии (J STRUCT CHEM+). 2018. Т.59. №2. С.461-466. DOI: 10.26902/JSC20180228 РИНЦ
РЕНТГЕНОСТРУКТУРНОЕ ИССЛЕДОВАНИЕ ПЕРФТОР-9,10-ДИФЕНИЛАНТРАЦЕНА И ПЕРФТОР-9,10-ДИФЕНИЛДИГИДРОАНТРАЦЕНОВ
Журнал структурной химии (J STRUCT CHEM+). 2018. Т.59. №2. С.461-466. DOI: 10.26902/JSC20180228 РИНЦ
Dates:
| Published print: | Mar 1, 2018 |
| Published online: | Jul 3, 2018 |
Identifiers:
| Web of science | WOS:000434477700028 |
| Scopus | 2-s2.0-85048220873 |
| Elibrary | 35755641 |
| OpenAlex | W2806627864 |