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在电场中进行的 Ar+H2O 转动非弹性散射的模型分析。

Model analysis of rotationally inelastic Ar + H2O scattering in an electric field.

机构信息

Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.

出版信息

J Phys Chem A. 2009 Dec 31;113(52):15055-63. doi: 10.1021/jp9051598.

Abstract

We develop an analytic model of thermal state-to-state rotationally inelastic collisions of asymmetric-top molecules with closed-shell atoms in electric fields and apply it to the Ar-H(2)O collision system. The predicted cross sections as well as the steric asymmetry of the collisions show at fields up to 150 kV/cm characteristic field-dependent features which can be experimentally tested. Particularly suitable candidates for such tests are the 0(00) --> 2(20) and 1(01) --> 2(21) channels, arising from the relaxation of the field-free selection rules due to the hybridization of J states by the field. Averaging over the M' product channels is found to largely obliterate the orientation effects brought about by the field.

摘要

我们开发了一个分析模型,用于研究电场中不对称顶分子与闭壳原子之间的热态态到态旋转非弹性碰撞,并将其应用于 Ar-H(2)O 碰撞系统。预测的截面以及碰撞的空间非对称性在高达 150 kV/cm 的场强下表现出特征的场依赖性特征,这些特征可以通过实验进行测试。由于场对 J 态的杂化,导致场自由选择定则的松弛,因此 0(00) --> 2(20) 和 1(01) --> 2(21) 通道特别适合进行这种测试。我们发现,对 M'产物通道的平均处理在很大程度上消除了由场引起的取向效应。

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