Three-dimensional intermolecular potential energy surface of the Kr-OH complex
Three-dimensional intermolecular potential energy surface of the Kr-OH complex
复制标题
Kr-OH配合物的三维分子间势能面
DOI：
10.1080/00268976.2010.499378
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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
利用傅里叶变换微波光谱技术，观察到Kr-OH货车德瓦耳斯配合物及其氘代类似物在基态的纯转动跃迁，并得到精细和超精细结构.利用82 Kr-OH、84 Kr-OH、86 Kr-OH和84 Kr-OD的所有观测数据，考虑原子-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Kr-OH的三维势能面，即平均势能面V2和差势能面V2。的分子间相互作用能的OH单体的键长的依赖关系进行了比较与Ar-OH和Ne-OH。
Pure rotational transitions of the Kr–OH van der Waals complex and its deuterated analog in the ground electronic state with resolved fine and hyperfine structures were observed by Fourier-transform microwave spectroscopy. Three-dimensional potential energy surfaces of Kr–OH, averageVΠand differenceV2potentials, were determined by a simultaneous analysis utilizing all the observed data for82Kr–OH,84Kr–OH,86Kr–OH, and84Kr–OD, where all the freedom of motions for an atom–diatom system in the Jacobi coordinates,R,θ, andr, were considered. The dependence of the intermolecular interaction energy on the bond length of the OH monomer is compared with those of Ar–OH and Ne–OH.