Techniques Used for Structure Derivations

The strategy for analyzing solution X-ray diffraction data for structures of complexes will depend on the characteristics of each specific 

In the presence of a complex-forming anion the number of interactions is increased, and in order to get information beyond a simple determination of average bond lengths, this method cannot be used. Comparisons between diffraction curves for solutions of different compositions are then needed in order to separate and analyze specific interactions. 

Diffraction data for concentrated aqueous metal salt solutions containing noncomplex-forming anions have been used to derive structures 

The most detailed structures have been obtained from neutron diffraction data, when isotopic substitution methods have been possible to use. Neutrons are strongly scattered by hydrogen atoms, making it possible to determine not only bond lengths and coordination number of the metal ion, but also the orientation of the water molecules in its first coordination sphere. A summary of results is given in Table II (19-31). 

Structures of Aqua Complexes in Aqueous Solutions Derived from Neutron Diffraction Data in Combination with Isotopic Substitution  

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