|
Figure 7
Computed electrostatic potentials on the 0.001 a.u. surfaces of (a) ClO4-, (b) BF4- and (c) PF6-. Color ranges, in kcal mol−1: red, less negative than −115; yellow, between −115 and −120; green, between −120 and −133; blue, more negative than −133. In (a) and (b), the black hemispheres and sphere indicate the least negative potentials of the σ-holes of the peripheral atoms and the central atom; in (c) they indicate the least negative potentials of the σ-holes of just the peripheral atoms. |
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
Open
access
