Molecular-beam study of the water-helium system: Features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces

被引:39
作者
Cappelletti, D [1 ]
Aquilanti, V
Cornicchi, E
Teixidor, MM
Pirani, F
机构
[1] Univ Perugia, Dipartimento Ingn Civile eAmbientale, I-06125 Perugia, Italy
[2] Univ Perugia, INFM, I-06125 Perugia, Italy
[3] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
关键词
D O I
10.1063/1.1988307
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
We report molecular-beam measurements of the total integral cross sections for the scattering of water molecules by helium atoms. A combined analysis of the new experimental data together with available differential cross section results has allowed an accurate determination of the isotropic component of the interaction potential for this prototypical system. The potential well shows a depth of 0.265 +/- 0.010 kJ/mol at a distance between He and the center of mass of the water molecule of 0.345 +/- 0.02 nm. An effective isotropic long-range attraction constant C-LR=(6.3 +/- 0.3)x10(-4) kJ mol(-1) nm(-6), including both dispersion and induction contributions, has also been determined. The most recent and accurate ab initio potential-energy surfaces have been tested against these new experimental results. (c) 2005 American Institute of Physics.
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