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 )
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
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.