Electron momentum spectroscopy of the valence orbitals of the water molecule in gas and liquid phase:: A comparative study

被引：19
|
作者：
Hafied, H.
Eschenbrenner, A.
Champion, C.
Ruiz-Lopez, M. F.
Dal Cappello, C.
Charpentier, I.
Hervieux, P.-A.
机构：
[1] Inst Phys & Chim Mat Strasbourg, F-67034 Strasbourg 2, France
[2] Univ Paul Verlaine Metz, Lab Phys Mol & Collis, Inst Jean Barriol FR 2843, F-57078 Metz, France
[3] NAncy Univ, CNRS,UMR 7565, UHP, Eqipe Chim & Biochim Theor, F-54506 Vandoeuvre Les Nancy, France
[4] Fac Sci & Tech, Lab Cristallog & Modelisat Mat Mineraux & Biol, F-54506 Vandoeuvre Les Nancy, France
[5] Univ Paul Verlaine Metz, LPMM, F-57045 Metz 1, France
来源：
CHEMICAL PHYSICS LETTERS | 2007年 / 439卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2007.03.067
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 present a comparative study of the electron momentum spectroscopy (EMS) of the valence orbitals of the water molecule in gas and liquid phases. The molecular properties of the water molecule in liquid water have been computed within the framework of the polarizable continuum model. Surprisingly, we find that, although most of the molecular properties of the water molecule do show significant differences between gas and liquid phases, the shape of the EMS profiles are almost insensitive. (c) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：55 / 59
页数：5
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