Microwave spectroscopy of the Ne-OH(^2Π_i) complex and three-dimensional intermolecular potentials
Microwave spectroscopy of the Ne-OH(^2Π_i) complex and three-dimensional intermolecular potentials
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Ne-OH(^2Π_i)配合物和三维分子间势的微波光谱
DOI：
10.1039/c002193h
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发表时间：
2010
期刊：
影响因子：
--
通讯作者：
and Y. Endo
中科院分区：
文献类型：
--
作者：
Y. Sumiyoshi;I. Funahara;K. Sato;Y. Ohshima;and Y. Endo
用傅里叶变换微波光谱法研究了Ne-OH和Ne-OD分子基态的纯转动跃迁，得到了精细和超精细结构。对于Ne-OH，在毫米波区域的双共振光谱中也观察到了P = 0.5和1.5的能级之间的振转跃迁。利用两种同位素的数据，考虑了原子-硅藻体系在Jacobi坐标系中的所有运动自由度R、θ和r，通过同时分析确定了配合物的三维势能面。使用确定的势能面计算的振转能与Chuang等人（J. Chem. Phys.，1995，103，3418）。
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, θ, 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).