Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, E-47005 Valladolid, Spain.
J Phys Chem A. 2010 Aug 19;114(32):8450-6. doi: 10.1021/jp1045113.
The vibronic intensities for band systems of NO corresponding to transitions with origin in both the X(2)Pi ground and the 3ssigma(A(2)Sigma(+)) Rydberg states, and ending in the nppi Rydberg series with n = 3-5, have been determined. The description of the Rydberg states has been made with the molecular quantum defect orbital methodology. The Rydberg-valence interaction of the (2)Pi symmetry states involved in the studied transitions has been analyzed through a vibronic matrix. The present results have been compared with experimental and theoretical data available in the literature. Additionally, predictions for a number of unknown intensities have been made, which may be useful for the interpretation of the spectrum of NO.
已确定与起源于 X(2)Pi 基态和 3ssigma(A(2)Sigma(+)) 里德堡态的跃迁相对应的 NO 带系的振子强度，并以 nppi 里德堡系列（n = 3-5）结束。使用分子量子缺陷轨道方法对里德堡态进行了描述。通过振子矩阵分析了研究跃迁中涉及的（2）Pi 对称态的里德堡-价相互作用。将目前的结果与文献中可用的实验和理论数据进行了比较。此外，还对一些未知强度进行了预测，这对于解释 NO 的光谱可能有用。
