Cold Chemistry with Ionic Partners: Quantum Features of HeH+(1Σ) with H(1S) at Ultralow Energies

被引:17
|
作者
Bovino, S. [1 ]
Tacconi, M. [1 ]
Gianturco, F. A. [1 ]
机构
[1] Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2011年 / 115卷 / 29期
关键词
REACTIVE SCATTERING CALCULATIONS; COMPLEX ABSORBING POTENTIALS; EARLY UNIVERSE; F+H-2 REACTION; MOLECULES; SURFACE; DYNAMICS; COLLISIONS; ATOM; HE;
D O I
10.1021/jp203113e
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
Quantum reactive calculations are presented for an ion-atom reaction involving the HeH(+)cation and its destruction via a barrierless interaction with H atoms. The range of collision energies considered is that of a cold trap regime (around and below millikelvin) where the ionic partner could be spatially confined. Specific resonant features caused by the interplay of the strong ionic interaction with the very slow partners' dynamics are found and analyzed. Indications are also given on the consequences of the abstraction mechanism that acts for this reaction at low energies.
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页码:8197 / 8203
页数:7
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