Chemical bonding in Period 2 homonuclear diatomic molecules: a comprehensive relook

Electric dipole moments and chemical bonding of diatomic alkali-alkaline earth molecules.

We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and ...

Electron Densities for Homonuclear Diatomic Molecules from the Thomas-Fermi-Dirac Theory

Luminescence of Diatomic Molecules

Photoionization has been used to produce ions of N2 , 0 2 . and CO in definite excited states. Deactivating collisions of these ions with molecular gases were described in paper I, where the cross sections of ions with thermal velocity are given for various electronic and vibrational states. By application of an electric field the charged particles are accelerated yielding information on the in...

Spectra of diatomic molecules

Clearly N is perpendicular to R, so the projection of J onto R is the same as the projection LR with eigenvalue ¤1 h of L. (We now reserve z for a direction ̄xed in space, and use the subscript R for a component along R). Because total angular moment of an isolated molecule is constant, eigenfunctions of H when L is non-zero will have the quantum numbers J , MJ , ¤, s (to describe the electronic...

Structure of diatomic molecules

Molecules are of course atoms that are held together by shared valence electrons. That is, most of each atom is pretty much as it would be if the atom were isolated, but one or a few electrons are located in regions (for example, between two atomic cores) where they lead to an overall attractive e®ect. To see roughly how this works, you might consider the case of two protons and two electrons a...