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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Makarova I. P., Verin I. A., Aleksandrov K. S.
Заглавие : Structure and twinning of RbLiCrO4 crystals
Место публикации : Acta Crystallogr. B. - 1993. - Vol. 49. - P.19-28. - ISSN 0108-7681, DOI 10.1107/S0108768192006141
Примечания : Cited References: 14
Предметные рубрики: LITHIUM POTASSIUM-SULFATE
NEUTRON-DIFFRACTION
THERMAL VIBRATIONS
KLISO4
PROGRAM
LIKSO4
Аннотация: The crystal structures of the G3 (space group P31c) and G2 (space group P6(3)) phases of RbLiCrO4 have been determined from X-ray diffraction data (Mo Kalpha radiation) at 293, 428, 493 and 523 K (G3 phase) and 553 and 583 K (G2 phase). The RbLiCrO4 crystals exhibit twinning by merohedry with twin laws in the G3 phase: 2 parallel-to [001], m perpendicular-to [001], 1BAR; in the G2 phase: m parallel-to [001], 2 perpendicular-to [001], 1BAR. The analysis of diffraction intensities and influence of anomalous scattering on them provided the unambiguous determination of the twin laws for all the specimens investigated. The structure has been refined using the approximation of the anharmonic thermal vibrations of atoms.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Makarova I. P., Verin I. A., Aleksandrov K. S.
Заглавие : X-ray diffraction study of RbLiCrO4
Коллективы : European meeting on ferroelectricity
Место публикации : Ferroelectrics. - 1991. - Vol. 124, Is. 1. - P.91-96. - ISSN 0015-0193, DOI 10.1080/00150199108209420
Примечания : Cited References: 12
Предметные рубрики: LITHIUM POTASSIUM-SULFATE
THERMAL VIBRATIONS
CRYSTALS
PROGRAM
KLISO4
LIKSO4
Аннотация: Crystal structure of RbLiCrO4 was determined in G3 phase (sp. gr. P31c) at 293, 428, 493, 523 K and in G2 phase (sp. gr. P63) at 553, 583 K applying X-ray diffraction data. The investigated crystals exhibit ‘twinning by merohedry’. The analysis of intensities and influence of anomalous scattering on them allowed us to choose twin elements and atomic configurations of twin domains for all the investigated specimens.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhikh, Taisiya S., Khisamov, Radmir M., Bashirov D. A., Komarov, Vladislav Yu, Molokeev M. S., Ryadun, Alexey A., Benassi E., Konchenko, Sergey N.
Заглавие : Tuning of the coordination and emission properties of 4-amino-2,1,3-benzothiadiazole by introduction of diphenylphosphine group
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [19-73-00030]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : Cryst. Growth Des. - 2020. - Vol. 20, Is. 9. - P.5796-5807. - ISSN 1528-7483, DOI 10.1021/acs.cgd.0c00406. - ISSN 1528-7505(eISSN)
Примечания : Cited References: 58. - This work is supported by the Russian Science Foundation (project no. 19-73-00030) and partly by RFBR (viz., powder XRD data processing and determination of the structure of 1. CINF7/INFHINF8/INF using powder XRD) according to the research project no. 19-52-80003. We acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and thank Prof. Andrew N. Fitch. We are grateful to Siberian Supercomputer Centre of Institute of Computational Mathematics and Mathematical Geophysics for computational capability and thank the technical staff of the Institute for the assistance
Предметные рубрики: COMPLEXES
BENZOTHIADIAZOLE
CHEMISTRY
SUBSTITUENTS
LIGANDS
PROGRAM
Аннотация: A novel amino-benzothiadiazole bearing diphenylphosphine groups (L) was designed and synthesized. A number of its coordination compounds of Cu(I) (1·0.75C7H8, 2a,b), Pd(II) (4), and Pt(II) (5) were prepared demonstrating the coordination of L ligand via N and/or P atoms. The reaction with strong Lewis acid Zn(II) resulted in the rearrangement of P—N—P to P–P–N moiety and formation of complex 3. The structures of L, 2–5 were determined by single crystal X-ray (XRD) diffraction, while that of 1·0.75C7H8 was determined by powder XRD analysis. Intermolecular secondary bonding of S···S interactions in the compounds, unusual for benzothiadiazoles, was discussed supported by quantum chemical calculations. Differences in the structures of the compounds cause significant changes of photophysical properties. In particular, the position of the electronic absorption band is featured by the conformation of L, viz., the dihedral angle between the benzothiadiazole unit and the P—N—P moiety, as proved by TD-DFT calculations performed on model molecules. The photophysical properties of the compounds also strongly depend on the coordination mode of L: the presence of a bond between the metal and the N atom of the thiadiazole unit plays an essential role in defining the position of the absorption and emission bands as well as emission lifetime of these compounds. The thermally activated delayed fluorescence and phosphorescence mechanisms in a thermal equilibrium were determined for 1·0.75C7H8. Complex 5 features a broad emission band spanning the entire visible region; moreover, it shows an unusual clear-white luminescence, which remains visible even in the daylight.
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