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Size and shape of molecular ions and their relevance to the packing of the ‘soft salts’

✍ Scribed by Andrew L. Rohl; D.Michael P. Mingos


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
974 KB
Volume
212
Category
Article
ISSN
0020-1693

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✦ Synopsis


The manner m which inorganic molecules and ions pack in the sohd state is critical in determining their conductivity, magnetic and non-linear optical properties.

In a previous paper the methodology for calculatmg the volumes, surface areas, effective radii and shapes of inorganic ions was developed.

In this paper these structural parameters are used to rationalise the solid state structures of 'soft salts' which consist of a large cluster cation and a large cluster anion. The effective radii of the cluster ions derived from the volume contained within the van der Waals sphere of their atoms may be used to calculate radius ratios for the salts which may be used to interpret the observed solid state structures. The distortions from the idealised morgaruc salt structures have been related to the non-spherical nature of the ions, which have been calculated from their moments of inertia. The differences in the ion environments of those salts which have more than one crystal modification have been explored using potential energy calculations.


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