BN分子跃迁谱线的理论研究

Theoretical Study on the Transitional Spectral lines of BN Molecules

摘要: 借助孙卫国等建立的能正确计算双核体系跃迁谱线的理论方法, 研究了材料分子BN从电子态b¹Π向电子态a¹∑⁺跃迁过程中(0, 0)、(1, 1)跃迁带的P线系跃迁谱线。研究获得的理论结果不仅很好地重现了已知的实验结果, 同时还预测了这些跃迁带包含转动量子数J=80在内的高激发振转态的跃迁谱线数据, 从理论上为进一步掌握BN分子性能提供了重要的结构信息。

Abstract: In this paper, the P-branch transitional spectral lines of(0, 0) and(1, 1) bands of BN molecules in the b¹Π-a¹∑⁺ electronic state transition system are obtained by using the analytical formula proposed in Sun's previous study. The theoretical results supply important physical information of the unknown transitional spectral lines up to J = 80 for related studies.