Roudjane Mourad, Tchang-Brillet W-U Lydia, Launay Françoise
Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique, UMR 8112 du CNRS, Observatoire de Paris, Section de Meudon, 5 place Jules Janssen, 92195 Meudon Cedex, France.
J Chem Phys. 2007 Aug 7;127(5):054307. doi: 10.1063/1.2759214.
In this work, we have extended our previous high resolution study of the vacuum ultraviolet emission spectrum of the D2 molecule [M. Roudjane, et al. J. Chem. Phys. 125, 214305 (2006)] up to 124.2 nm in order to investigate the B' 1Sigmau+-->X 1Sigmag+ band system. The analysis of the spectrum has been carried out by means of a complex spectrum visual identification code IDEN [V. I. Azarov, Phys. Scr. 44, 528 (1991); 48, 656, (1993)] and supported by theoretical calculations using ab initio data [L. Wolniewicz, J. Chem. Phys. 103, 1792 (1995); 99, 1851 (1993); G. Staszewska and L. Wolniewicz, J. Mol. Spectrosc. 212, 208 (2002); L. Wolniewicz and G. Staszewska, 220, 45 (2003)] which provided level energies and transition probabilities. More than 1480 new emission lines have been observed and 109 bands belonging to the B' 1Sigmau+-->X 1Sigmag+ system have been identified between 84.1 and 121.6 nm. Except for the upsilon'-0 bands that were reported in absorption [I. Dabrowski and G. Herzberg, Can. J. Phys. 52, 1110 (1974)], all the upsilon'-upsilon" bands are reported here for the first time. The analysis led to the determination of 111 rovibronic energy levels in the B' 1Sigmau+ state, of which 31 with higher rotational numbers J are new. Observed perturbations are accounted for through a set of coupled equations involving the four excited electronic states B 1Sigmau+, B' 1Sigmau+, C 1Piu, and D 1Piu and including nonadiabatic couplings. The solution of this set provides the percent contribution of these four states to each of the observed rovibronic level.
在这项工作中，我们扩展了之前对D2分子真空紫外发射光谱的高分辨率研究[M. 鲁德贾内等人，《化学物理杂志》125, 214305 (2006)]，将其扩展到124.2纳米，以研究B' 1Σu+→X 1Σg+能带系统。通过一个复杂的光谱视觉识别代码IDEN [V. I. 阿扎罗夫，《物理学杂志》44, 528 (1991); 48, 656, (1993)]对光谱进行了分析，并得到了使用从头算数据的理论计算的支持[L. 沃尔尼维茨，《化学物理杂志》103, 1792 (1995); 99, 1851 (1993); G. 斯塔泽夫斯卡和L. 沃尔尼维茨，《分子光谱学杂志》212, 208 (2002); L. 沃尔尼维茨和G. 斯塔泽夫斯卡，220, 45 (2003)]，这些数据提供了能级能量和跃迁概率。已观测到1480多条新的发射线，并在84.1至121.6纳米之间识别出了属于B' 1Σu+→X 1Σg+系统的109个能带。除了在吸收光谱中报道过的υ'-0能带[I. 达布罗夫斯基和G. 赫兹伯格，《加拿大物理学杂志》52, 1110 (1974)]外，所有的υ'-υ"能带都是首次在此报道。该分析确定了B' 1Σu+态中的111个振转电子能级，其中31个具有较高转动量子数J的能级是新的。通过一组涉及四个激发电子态B 1Σu+、B' 1Σu+、C 1Πu和D 1Πu并包括非绝热耦合的耦合方程，对观测到的微扰进行了处理。这组方程的解给出了这四个态对每个观测到的振转电子能级的贡献百分比。
