瞬态双原子碳化物的光谱及斯塔克效应研究

项目名称： 瞬态双原子碳化物的光谱及斯塔克效应研究

项目编号： No.11504256

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 李传亮

作者单位： 太原科技大学

项目金额： 24万元

中文摘要： 瞬态双原子碳化物分子（CO*、CS、CN等）存在于化学反应、等离子体放电以及星际空间，是精密测量、外场操控以及研究分子能级相互作用的首选对象。然而，它们的一些精细结构、超精细结构以及其在外场中的能级移动用通常的多普勒受限光谱技术无法测量。本项目拟采用光外差-饱和吸收-浓度调制吸收光谱技术研究CO*、CS和CN等分子低激发电子态（如：CO*、CS的a3Π、A1Π、d3Δ态，CN的X2Σ+、A2Π、B2Σ+态）的精细与超精细结构，获得精细结构常数（Λ-型双分裂、自旋-自旋、自旋-转动等）与超精细常数(a、b、c、d等)。测量电场中分子斯塔克频移与外场强度之间的关系，获取分子的电偶极矩，根据量子力学二阶微扰理论研究MF量子态之间的相互微扰。检验从头计算结果，改进计算方法。瞬态双原子碳化物分子常数以及其电场特性参数对研究天文物理、燃烧过程、等离子放电和分子的外场操控等有重要的意义。

中文关键词： 瞬态碳化物分子；振动-转动光谱；光外差-饱和吸收光谱技术；斯塔克效应；微扰

英文摘要： Transient diatomic carbide molecules (CO*, CS, CN, etc.) are widely present in combustion, discharge plasma, chemical reaction and interstellar space, and they are the preferred candidates for precision measurement, molecular manipulation and investigation of the interactions among quantum states. However, the external field effect, fine and hyper-fine structures of transient diatomic carbide molecules cannot be resolved by the Doppler-limited spectroscopy. In the project, optical heterodyne – saturation absorption – concentration modulation spectroscopy with high sensitivity and sub-Doppler resolution will be used to study the fine and hyperfine parameters of low excited states (such as a3Π，A1Π，d3Δ states of CS and CO*，X2Σ+, A2Π, B2Σ+ states of CN）. The fine structure constants (Λ-doubling, spin-spin interaction, spin-rotation, etc.) and hyperfine parameters (a, b, c, d, etc.) will be derived by fitting the assigned spectral lines to the effective Hamiltonian matrix. Through measuring the Stark hyperfine splitting, we obtain the relationships between splitting and electric field intensity and the electric dipole moment. The perturbations between MF states are investigated based on the second-order perturbation theory. The results of ab initio are inspected and the calculated methods are improved according to the experimental results. The spectral parameters of transient diatomic carbide molecules are of great significance to the study of astrophysics, combustion process, discharge plasma and molecular manipulation.

英文关键词： transient carbide molecule;ro-vibrational spectra;optical heterodyne-saturated absorption;Stark effect;perturbation