The structure of liquid tetrachlorides CCl4, SiCl4, GeCl4, TiCl4, VCl4, and SnCl4

被引:52
作者
Jóvári, P [1 ]
Mészáros, G [1 ]
Pusztai, L [1 ]
Sváb, E [1 ]
机构
[1] Hungarian Acad Sci, Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
关键词
D O I
10.1063/1.1355998
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
Neutron diffraction measurements have been carried out for determining the total structure factor of liquid CCl4, SiCl4, GeCl4, TiCl4, VCl4, and SnCl4. The data were interpreted using the reverse Monte Carlo method, where the procedure started from results of molecular dynamics calculations. It is demonstrated that simple repulsive interatomic potential models are suitable for describing the most important structural features qualitatively. Based on detailed analyses of particle configurations, it is shown that "corner-to-face" type near-neighbor arrangements, that have been promoted for the interpretation of these structures over the last 20 years, are actually very rare, their occurrence being around 5% only. Instead, the dominance of "corner-to-corner" type orientational correlations is found. (C) 2001 American Institute of Physics.
引用
收藏
页码:8082 / 8090
页数:9
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