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Figure 1. A quantum chemical model of the charge distribution of Cr0
(A), Cr3+ (B), and Cr6+ (C).
The electrostatic potential is mapped on an ab initio calculated electron
density surface (electron density on the surface is similar in each picture
showing overall size of the 3 compounds). The colour indicates the electrostatic
potential on the surface, red indicating the highest negative charge and
blue, the highest positive charge. Calculations and graphics by Olli Aitio,
M.Sc (Department of Pharmaceutical Chemistry, University of Helsinki)
using SPARTAN software (Version 4.0 Wavefunction, Inc., Irvine California).
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