MODELING OF THE MOLECULAR ION H2- AN UNIFIED APPROACH OF THE MAGNITUDE OF PHYSICAL PARAMETERS CHARACTERIZING DIATOMIC-MOLECULES( BY AID OF THE COULOMB AND OF THE DEBROGLIE RELATIONS )

Citation
P. Blaise et al., MODELING OF THE MOLECULAR ION H2- AN UNIFIED APPROACH OF THE MAGNITUDE OF PHYSICAL PARAMETERS CHARACTERIZING DIATOMIC-MOLECULES( BY AID OF THE COULOMB AND OF THE DEBROGLIE RELATIONS ), Journal de chimie physique et de physico-chimie biologique, 91(9), 1994, pp. 1347-1385
Citations number
8
Categorie Soggetti
Biology,"Chemistry Physical
Volume
91
Issue
9
Year of publication
1994
Pages
1347 - 1385
Database
ISI
SICI code
Abstract
This paper is dealing with an unified, qualitative and intuitive appro ach of physical parameters related to the minimum of the potential ene rgy curve of the molecular ion H2+. The interest of this approach lies in the possibility of extending the obtained qualitative features to polyelectronic diatomic and even to polyatomic molecules and to obtain the magnitude of bond lengths, dissociation energy, force constant th at are the same in all molecules. A one dimension model is used, which needs no more knowledge in quantum mechanics than that of the de Brog lie relation and of the Born interpretation of the wavefunction. Are a lso evaluated, the magnitude of the nuclei vibration amplitudes, of th e increase of the bond lengthes following from anharmonicity and of th e isotopic effect on bond lengthes. At last, are verified several qual itative experimental features concerning bond lengths, dissociation en ergies and force constants of homonuclear diatomic molecules correspon ding to elements belonging to a same column of the periodic table.