Intermolecular potential energy surfaces for the interaction between H2X (X=O, S) and a metastable Ne*(3P2,0) atom

被引：10

作者：

Falcinelli, Stefano ^{[1
]}

Bartocci, Alessio ^{[2
]}

Candori, Pietro ^{[1
]}

Pirani, Fernando ^{[2
]}

Vecchiocattivi, Franco ^{[1
]}

机构：

[1] Univ Perugia, Dipartimento Ingn Civile & Ambientale, I-06125 Perugia, Italy

[2] Univ Perugia, Dipartimento Chim Biol & Biotecnol, I-06123 Perugia, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2014年 / 614卷

关键词：

IONIZATION ELECTRON-SPECTROSCOPY; PENNING IONIZATION; PHOTOELECTRON; MOLECULES; DYNAMICS; HELIUM; SHELL;

D O I：

10.1016/j.cplett.2014.09.017

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：

Potential energy surfaces for the interaction of a Ne*(P-3(2,0)) atom with H2O and H2S molecules are obtained on the basis of a semi empirical method that has been previously used for some specific orientations in Ne*(P-3(2,0))-H2O system. The method is now suitable for all orientations and also for Ne*(P-3(2,0))-H2S system. Interesting features emerge by comparing the two systems and appear related to different characteristics of the two molecular partners. The potential energy surface for Ne*(P-3(2,0))-H2S has been also successfully tested for reproducing recent experimental Penning ionization electron spectroscopy data, sensible to some specific orientations of the two colliding partners. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：171 / 175

页数：5

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