MOMENTUM-SPACE ELECTRON-DENSITIES - LOCALIZED ORBITALS IN HYDROCARBONS, BORANES, AND TRANSITION-METAL COMPLEXES

Position and momentum space plots are presented for localized molecula r orbitals in hydrocarbons, boranes, a carborane, and two octahedral t ransition metal complexes. The p-space representation proves to be val uable for visualizing such orbitals since it highlights the difference s in their character from one molecule to another. Factors influencing the form of the orbitals in p space, including the oscillatory behavi or caused by contributions to an orbital from more than one center, ar e examined in detail. (C) 1996 John Wiley & Sons, Inc.