Solid-state studies of C60 solvates formed with chlorodibromomethane

被引:9
作者
Ceolin, R. [1 ,2 ]
Lopez, D. O. [1 ]
Nicolai, B. [2 ]
Espeau, P. [2 ]
Barrio, M. [1 ]
Allouchi, H. [3 ]
Tamarit, J. Ll. [1 ]
机构
[1] Univ Politecn Cataluna, ETSEIB, Dept Fis & Engn Nucl, E-08028 Barcelona, Spain
[2] Univ Paris 05, Fac Pharm, Chim Phys Lab, EA4066, F-75006 Paris, France
[3] Univ Tours, Fac Farm, Chim Phys Lab, F-37200 Tours, France
关键词
fullerene C-60; solvate; cocrystal; intercalation compound; solvation;
D O I
10.1016/j.chemphys.2007.09.023
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
At room temperature, the unstable-in-air hexagonal C-60 center dot 2HCClBr(2) solvate (a = 10.154(3)angstrom, c = 10.150(3) angstrom at 308 K) forms with a negative excess volume, and slowly transforms upon ageing at room temperature into a stable orthorhombic solvate, C-60 center dot 1.5HCClBr(2) (a = 23.009(5) angstrom, b = 12.649(6) angstrom, c = 11.659(5) angstrom). The lattice expansion and the lattice anisotropy of the C-60 center dot 2YCCl(3) (Y = H, CH3, Br, Cl) and C-60 center dot 2HCBr(3) solvates, for which the solvent molecular symmetry is C-3v are compared to the new results obtained for C60 solvates formed with HCClBr2 (solvent molecular symmetry C-2v). Results indicate that the van der Waals volume of the solvent molecule fully controls both the unit-cell volumes of the C60 intercalated halogenomethane solvates and the lattice expansion along the (001) hexagonal direction, the solvent molecular symmetry being an irrelevant physical parameter in the temperature range studied. (C) 2007 Elsevier B.V. All rights reserved.
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页码:78 / 84
页数:7
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