Energetics and geometries for the hydrated gaseous halide anions have been computed from a simple model in which the molecular dipole of water was composed of two parts, one due to a lone pair on oxygen (60%) and the rest to formal charges on the nuclei. The calculations were made for both the symme
Hydrated metal halide structures and the HSAB concept
β Scribed by Dr. Ch R. Balarew; Dr. R. Duhlev; Dr. D. Spassov
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 424 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0232-1300
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β¦ Synopsis
Hydrated Metal Halide Structures and the HSAB Concept
A review of ligand coordination in the structures of hydrates of the bivalent Mg, Ca, Mn, Fe, Co, Ni, Cu, Zn and Cd halide salts is made. Differences in the type of environment around the Me2+ are satisfactorily explained using the HSAB (Hard and Soft Acids and Bases) concept: in all structures the tendency for a preferable combination hard cationhard ligand and soft cationsoft ligand is proved. The paper demonstrates the possibilities of the HSAB concept t o solve crystallochernical problems of the type of ligand coordination in the structures.
π SIMILAR VOLUMES
Ionic radii based on electron-density distribution in crystalline sodium chloride and interionic distances in alkali halides of Bl structure have been used for estimation of theabsolute standard enthalpies of hydration of individual alkali metal and halide ions at 298.15 K. The absolute standard par
## Abstract Studying metal ion solvation, especially hydration, in the gas phase has developed into a field that is dominated by a tight interaction between experiment and theory. Since the studied species carry charge, mass spectrometry is an indispensable tool in all experiments. Whereas gasβphas