Studies on the full vibrational energies and dissociation energies of some heteronuclear diatomic molecules

Qunchao Fan; Weiguo Sun; Hao Feng

doi:10.1016/j.saa.2009.08.036

Studies on the full vibrational energies and dissociation energies of some heteronuclear diatomic molecules

Spectrochim Acta A Mol Biomol Spectrosc. 2009 Nov;74(4):911-6. doi: 10.1016/j.saa.2009.08.036. Epub 2009 Aug 20.

Authors

Qunchao Fan¹, Weiguo Sun, Hao Feng

Affiliation

¹ School of Physics and Chemistry, Xihua University, Chengdu, Sichuan 610039, China. [email protected]

PMID: 19744883
DOI: 10.1016/j.saa.2009.08.036

Abstract

A parameter-free analytical formula for dissociation energies of diatomic molecules is proposed by Fan and Sun (2009) [20] based on LeRoy and Bernstein's vibrational energy expression near dissociation limit. Using three highest vibrational energies which may be generated by the algebraic method (AM) presented in our previous study and by some other physical methods, the new formula is applied to study the molecular dissociation energies of 10 electronic states of KH, (7)LiD, (7)LiH, (6)LiH, NaK, NaLI and NaRb heteronuclear diatomic molecules which have regular (Morse-like) potentials in this work. The results show that the AM energies E(upsilon)(AM) and dissociation energies D(e)(AM) have excellent agreement with experimental values.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Models, Chemical*
Molecular Structure
Thermodynamics*
Vibration