Computation of AlO B2Σ+ → X2Σ+ emission spectra

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.

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• We model emission spectra of the AlO B–X system.
• We present recipe for computation of diatomic line-strengths for AlO.
• We apply Born–Oppenheimer approximation for electronic-vibrational strengths.
• We discuss Hund’s case (a) and Hönl–London factors.
• High-temperature measured spectra are compared with predictions.