Computation of AlO B 2Σ + → X 2Σ + emission spectra

Abstract

Abstract 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.