STRUCTURE OF LIQUID CHLORINE FROM NEUTRON-DIFFRACTION MEASUREMENTS

被引:11
作者
BELLISSENTFUNEL, MC
BUONTEMPO, U
PETRILLO, C
RICCI, FP
机构
[1] UNIV LAQUILA,DEPARTIMENTO FIS,I-67100 LAQUILA,ITALY
[2] CNR,IST STRUTTURA MAT,I-00044 FRASCATI,ITALY
[3] UNIV ROME LA SAPIENZA,DIPARTIMENTO FIS,I-00185 ROME,ITALY
关键词
D O I
10.1080/00268979000101781
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 performed on orthobaric liquid chlorine at temperatures T = 202.2 K and 286.6 K. A comparison with previous measurements is made. The intermolecular structure factors and pair correlation functions are reported and discussed in terms of the orientational correlations that strongly influence the structure of liquid chlorine. Comparison is made with molecular-dynamics results obtained by Rodger, Stone and Til-desley employing a new sophisticated potential. Agreement between the present experimental data and the predictions made using this potential is very satisfactory, although some minor changes in the potential are suggested. Finally, we point out the impossibility of explaining the features of g(r) by using only a limited number of configurations such as the T, end-to-end or staggered parallel ones. © 1990 Taylor and Francis Ltd.
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页码:253 / 268
页数:16
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