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系统阐述了非对称陀螺分子光谱的标识分析工作涉及的一些关键理论问题, 包括有效Hamilton量、表象和基矢、能级识别、跃迁选择规则、相对强度和Zeeman调制率等, 并在有效Hamilton量中引入高阶离心畸变项, 大大提高了计算精度, 并使高转动量子数跃迁的标识分析成为可能. 作为应用实例, 对14N16O2基振动态的零场和磁共振谱进行了统一分析(global analysis), 获得了迄今为止最精确、最完整的14N16O2基振动态分子结构参数, 并对Curl和Brown等人过去未能标识的14N16O2高转动量子数跃迁远红外激光磁共振谱线进行了成功标识.
Some key theoretical problems involved in the identification analysis of asymmetric gyro molecular spectroscopy are expounded systematically, including the effective Hamiltonian, appearance and base vectors, energy level recognition, transition selection rule, relative intensity and Zeeman modulation rate. , The high-order centrifugal distortion term is introduced, which greatly improves the calculation precision and makes the identification analysis of high-rotation quantum number transitions possible.As a practical example, the zero-field and magnetic resonance spectra of the fundamental vibration of 14N16O2 are analyzed in a unified way ), The most accurate and complete 14N16O2 molecular vibrational vibrational molecular structure parameter is obtained, and the 14N16O2 high rotation quantum number far-infrared laser magnetic resonance spectroscopy line previously identified by Curl and Brown et al. Has been successfully identified.