Spectroscopic analysis of asymmetric top free radicals --Application to pure rotational spectra of NO2 in the ground vib
Several key problems involved in the analyses of spectra ofasymmetric top molecules, i.e., the effective Hamiltonian, the representation and basis vector, identification of energy levels, the selection rules, the relative intensity, and Zeeman tuning rate, were elucidated systematically. Introducing the high-order centrifugal distortion terms into the effective Hamiltonian, the precision for calculation has been improved substantially, which allows us to analyze the high-lying rotational transitions. A global analysis of all available spectra of 14N16O2 in the ground vibronic state has been made to obtain a set of molecular constants of 14N16O2 in the ground vibronic state which is the most precise and extensive so far. Using the improved parameters, some FIR LMR lines left unassigned hitherto have been identified successfully.
作 者： LIU Yuyan Liu Xiaoyong Liu Hongping GUO Yuanqing HUANG Guangming LIN Jieli GAO Hui DUAN Chuanxi 作者单位： State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China 刊 名： 中国科学B辑(英文版) EI SCI 英文刊名： SCIENCE IN CHINA(SCIENTIA SINICA) 年，卷(期)： 2001 44(1) 分类号： O6 关键词： asymmetric top free radical high-order centrifugal distortion spectroscopic analysis of NO2