Инд. авторы:	Likhacheva A.Y., Rashchenko S.V., Litasov K.D.
Заглавие:	High-pressure structural properties of naphthalene up to 6 GPa
Библ. ссылка:	Likhacheva A.Y., Rashchenko S.V., Litasov K.D. High-pressure structural properties of naphthalene up to 6 GPa // Journal of Applied Crystallography. - 2014. - Vol.47. - Iss. 3. - P.984-991. - ISSN 0021-8898. - EISSN 1600-5767.
Внешние системы:	DOI: 10.1107/S1600576714005937; SCOPUS: 2-s2.0-84901842711; WoS: 000336738500018;
Реферат:	eng: The elastic and structure behavior of solid naphthalene (C10H8) was studied by in situ synchrotron powder X-ray diffraction up to 5.6 GPa in a diamond anvil cell. Rietveld refinements were applied to obtain atomic coordinates and lattice parameters as a function of pressure. Within the studied pressure range, the intramolecular C - C and C - H distances decrease by 3.5%, whereas intermolecular distances within and between the herringbone layers decrease by 18 and 10%, respectively. Noindication of a symmetry change (space group P2 1/a) was observed. A markedly anisotropic compression is preserved up to 5.6 GPa, with linear compressibilities βa: βb:βc:β[200] ∼ 7:5:3:10. Fitting of the P-V experimental data to the Vinet equation of state yields K0 = 7.9 (3) GPa and K′ = 7.5 (3) at V0 = 361 Å3. At the highest pressure of 5.6 GPa, the unit-cell volume is decreased by 23%. The overall regularity of compression confirms the absence of major structural transformations in naphthalene up to 5.6 GPa. However, a distinct bend of the pressure dependence of the interlayer C⋯C distances observed at 2 GPa suggests a minor structural irregularity, which is apparently associated with spectroscopic anomalies observed previously. © 2014 International Union of Crystallography.
Ключевые слова:	Structural transformation; Powder diffraction; Linear compressibilities; Intermolecular distance; High-pressure structural properties; High pressure; Anisotropic compression; X ray diffraction; Single crystals; Rietveld refinement; Naphthalene; High pressure engineering; Equations of state; Compressibility; structure refinement; powder diffraction; naphthalene; molecular crystals; high pressure; compressibility; Molecular crystals; Structure refinements;
Издано:	2014
Физ. характеристика:	с.984-991