VN分子R线系跃迁结构的研究与分析  

Studies on the R-branch emission spectral lines of VN molecules

作　　者：付佳[1] 樊群超[2] 孙卫国[1,2] 胡石[2] 江永红[1] 

机构地区：[1]四川大学物理科学与技术学院,成都610065 [2]西华大学物理与化学学院,先进计算研究中心,成都610039

出　　处：《物理学报》2013年第23期126-132,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:11074204;11204244);四川省科技厅青年基金(批准号:2012JQ0055)资助的课题~~

摘　　要：本文借助孙卫国课题组建立的能精确计算双原子分子R线系发射谱线的物理公式,利用实验上获得的低振动态跃迁谱线数据研究了电极材料VN分子电子态f1Φ—a1以及电子态d1Σ+—X3 1等跃迁体系的(0,0)跃迁带的R线系发射谱线.从理论上预言了实验上难以获得的该跃迁带R线系高振转激发态的跃迁结构,为急需VN分子内部结构的其他研究领域提供了重要的结构信息.从这些公式出发,我们定义了表征实验测定谱线对新谱线的贡献度C(contribution)参数,进一步分析了高激发振转跃迁谱线的相互依赖关系,结果表明该物理公式不仅很好地复现了已知的实验数据,正确地预言了实验未能测定的高激发振转跃迁谱线,而且还能了解不同实验谱线对新谱线的贡献程度,基于这些贡献度,实验学家可以将有限的资源更好地进行分配,重点研究那些贡献度大的振转跃迁谱线.Vanadium nitride is an important metallurgical additive and a good electrode material. Studying its interior microstructure is necessary for fully understanding its intrinsic nature and for better applications. Two groups of known experimental transition data of low-lying rotational quantum states and the analytical formula derived by Sun group in their previous works are used in this work to predict the high-lying accurate R-branch emission spectra of the （0, 0） band in the f1Φ–a1Δ and d1∑＋–X3Δ1 systems of the VN molecule. Theoretical results not only reproduce all known experimental spectral lines accurately, but also generate correct values of the unknown spectral lines up to J=80 that are not available experimentally. This study defines a contribution degree C to measure the contributions of known experimental spectral lines to the predicted line. The contribution degree C makes it easier for one to understand the relationships and influences among the transition lines （rotational states） of the given system.

关 键 词：双原子分子 跃迁谱线 贡献度 VN 

分 类 号：O561[理学—原子与分子物理]