A DETAILED STUDY OF CONFORMATIONS IN THE GROUND-STATE OF CH4+

被引：13

作者：

KELLA, D

VAGER, Z

机构：

[1] Department of Particle Physics, Weizmann Institute of Science, Rehovot

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 21期

关键词：

D O I：

10.1063/1.468833

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：

The results of Coulomb explosion imaging for cold CH4 + molecular ions are converted to the molecular conformation probability density. This is the first complete conversion of such data for a relatively complex molecule. The results are compared with the corresponding predicted potential energy surfaces which manifest a Jahn-Teller symmetry breaking. The density of conformations along a nuclear rearrangement path is deduced and the comparison with the theory is satisfactory in almost every respect, except for the density near the minimum of the theoretical potential © 1995 American Institute of Physics.

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页码：8424 / 8430

页数：7

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