A Method of Analysis of Vibration–Rotational and Rotational Spectra of Light Diatomic Molecules

✍ Scribed by Hiromichi Uehara

• Publisher: Elsevier Science
• Year: 1997
• Tongue: English
• Weight: 182 KB
• Volume: 182
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1996.7207

✦ Synopsis

The potential model of G. Thompson et al. [J. Mol. Spectrosc. 124, 130-138 (1987)] for an analysis of the vibrational-rotational and the rotational spectra of diatomic molecules is modified by an algebraic WKB treatment of the Schro ¨dinger equation given by Watson's effective Hamiltonian. A compact expression is given for the contributions from the adiabatic and nonadiabatic correction terms in the Hamiltonian to the Dunham's Y ij coefficients. The present model is applied to the reported vibrational-rotational and rotational spectra of LiH as a typical light diatomic molecule where effects of the diabatic and nonadiabatic corrections are significant, and all spectral lines of all isotopomers are fitted to a single set of molecular constants simultaneously well within experimental errors. The analytical expressions for D a,b v and D a,b B obtained in the present study provide the basis for the validity of the potential model of Thompson et al. for molecules composed of heavier atoms.