Abstract
Some fundamental aspects of bond polarity embedded in diatomic molecular orbitals are studied from the viewpoint of the electron distribution in momentum space. Electron momentum density is expressible as a product of one-center and oscillation terms, and the effect of polarity appears mainly in the latter term. Since the oscillation is not spherically symmetrical, the bond polarity is then related to the anisotropy of momentum distribution. In order to investigate this relation, directional ratios of momentum moments are introduced and their behaviors are examined for a model heteronuclear diatomic system.
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