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氖-羟基((2)Pi(i))复合物的微波光谱学和三维分子间势能。

Microwave spectroscopy of the Ne-OH((2)Pi(i)) complex and three-dimensional intermolecular potentials.

机构信息

Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan.

出版信息

Phys Chem Chem Phys. 2010 Aug 1;12(29):8340-9. doi: 10.1039/c002193h. Epub 2010 May 26.

Abstract

Pure rotational transitions in the ground electronic state for Ne-OH and Ne-OD have been observed by Fourier-transform microwave spectroscopy with resolved fine and hyperfine structures. For Ne-OH, rovibrational transitions between the levels with P = 0.5 and 1.5 have also been observed by double-resonance spectroscopy in the millimetre wave region. A three-dimensional potential energy surface has been determined for the complex by a simultaneous analysis utilizing the data of the two isotopologues, where all the freedom of motions for an atom-diatom system in the Jacobi coordinate, R, theta, and r, were considered. Rovibrational energies calculated using the determined potential surface are compared with those by previous experimental results by Chuang et al. (J. Chem. Phys., 1995, 103, 3418).

摘要

已通过傅里叶变换微波光谱法观察到 Ne-OH 和 Ne-OD 的基态纯转动跃迁,并解析了精细和超精细结构。对于 Ne-OH,还通过毫米波段的双共振光谱法观察到 P = 0.5 和 1.5 之间的振转跃迁。通过同时利用两种同位素的数据进行分析,确定了该复合物的三维势能面,其中考虑了 Jacobi 坐标 R、theta 和 r 中原子-双原子系统的所有自由度。使用确定的势能面计算的振转能量与 Chuang 等人的先前实验结果(J. Chem. Phys.,1995,103,3418)进行了比较。

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