Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7846536 | Journal of Quantitative Spectroscopy and Radiative Transfer | 2017 | 6 Pages |
Abstract
An extended Morse oscillator (EMO) potential function was obtained by fitting the observed laboratory vibration-rotation and pure rotational spectra of the 24MgF X2Σ+ ground state. The fitted potential reproduces the observed transitions within the observation uncertainties. With this EMO potential and an analytic dipole moment function in the form of a Padé approximant fitted using ab initio dipole moment data, line lists for 24MgF, 25MgF and 26MgF were computed for vâ¤8, Nâ¤100, Îv=0-8. It was discovered that directly using the ab initio dipole moment points with cubic spline interpolation to calculate line intensities worked for Îv<3, but failed for higher Îv values. A simple solution was found by fitting the ab initio dipole points with a suitable analytical dipole moment function. The calculated emission spectra are in good agreement with an observed laboratory spectrum with the MgF sample at 1823 K.
Related Topics
Physical Sciences and Engineering
Chemistry
Spectroscopy
Authors
Shilin Hou, Peter F. Bernath,