The University of Tennessee Space Institute, Center for Laser Applications, 411 B.H. Goethert Parkway, Tullahoma, TN 37388, USA.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Oct 15;81(1):404-11. doi: 10.1016/j.saa.2011.06.029. Epub 2011 Jul 5.
Application of molecular spectroscopy to analytical chemistry usually requires accurate description of the particular transition of interest. In this communication we describe the creation of a list of spectral lines. Following the introduction and definition of the line strength, we present a recipe for computation of diatomic-line-strengths, including the Hönl-London factor and electric dipole line strength for each spectral line. The diatomic eigenfunction is discussed including Hund's case basis functions. In our data tables we prefer use of Hund's case (a) basis, and we apply the usual Born-Oppenheimer approximation for the electronic-vibrational strengths. This allows us to generate the table of line strengths that we frequently apply for spectroscopic temperature determination. Using these line-strength tables, we present theoretical AlO emission spectra for the B-X system of AlO. These emission spectra are computed for temperatures of 3000 and 6000 K and for typical spectroscopic resolution used in laser-induced optical breakdown studies.
分子光谱学在分析化学中的应用通常需要准确描述感兴趣的特定跃迁。在本通讯中,我们描述了创建光谱线列表的过程。在介绍和定义线强后,我们提出了一种计算双原子线强的方法,包括每条光谱线的洪特-伦敦因子和电偶极线强。讨论了双原子本征函数,包括 Hund 态基函数。在我们的数据表中,我们更喜欢使用 Hund 态(a)基,并且我们应用通常的 Born-Oppenheimer 近似来计算电子-振动强度。这使我们能够生成我们经常用于光谱学温度确定的线强表。使用这些线强表,我们为 AlO 的 B-X 系统计算了 AlO 的理论发射光谱。这些发射光谱是针对 3000 和 6000 K 的温度以及激光诱导光击穿研究中常用的典型光谱分辨率计算的。