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

摘要

Position and momentum space plots are presented for localized molecular orbitals in hydrocarbons, boranes, a carborane, and two octahedral transition metal complexes. The p-space representation proves to be valuable for visualizing such orbitals since it highlights the differences in their character from one molecule to another. Factors influencing the form of the orbitals in p space, including the oscillatory behavior caused by contributions to an orbital from more than one center, are examined in detail. (C) 1996 John Wiley & Sons, Inc. [References: 40]