Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan.
J Phys Chem A. 2010 Apr 15;114(14):4798-804. doi: 10.1021/jp909389q.
Rotational and rovibrational transitions with parity doublings and hyperfine structures of the Ne-NO complex in the electronic ground state have been observed by Fourier-transform microwave spectroscopy, and they are analyzed by employing a free-rotor model with a standard deviation of the least-squares fit to be 12 kHz. A 2-dimensional intermolecular potential energy surface for the Ne-NO complex has been determined from the present high-resolution spectroscopic data with the aid of high-level ab initio calculations.
通过傅里叶变换微波光谱学观察到了电子基态下 Ne-NO 络合物的奇偶加倍和超精细结构的转动和 rovibrational 跃迁，并通过使用具有标准偏差为 12 kHz 的最小二乘拟合的自由转子模型对其进行了分析。借助高精度的从头算计算，从目前的高分辨率光谱数据中确定了 Ne-NO 络合物的二维分子间势能面。
