Pseudo-square pyramidal configuration

Fig. 7. Structures of five-coordinate Cu2+ from first principles molecular dynamics. A Berry twist mechanism for the interconversion of the two structures is shown (from left to right) the reorientation of the main axis of a square pyramidal configuration by pseudo-rotations via a trigonal bipyramidal configuration. The grey atoms in the plane of the trigonal bipyramid are all candidates for becoming apical atoms in a square pyramid.

The assignment of descriptors and configuration is sometimes arbitrary, at best, when based on model structures and pseudo-atom coordination numbers. A more explicit stereochemical notation is achieved by using this notation, which states within the stereodescriptor the model structure on which the notation is based. In this notation the pseudo-square pyramidal structure is [5PF-5-14-C(i )]. This structure can be expected to result in geometric isomers when one of the... 

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