Abstract
When paramagnetic salts (like CuCl 2-2H 20) are dissolved in water, the salts dissociate into ions, around which solvent molecules cluster in spheres. Such solutions show an unusually large chemical shift which has been explained as being due to the delocalization of unpaired electrons of the paramagnetic ion on to the solvation shell. The probability density of the delocalized electrons being at the proton site in the solvation shell is derived from NMR data and compared with the theoretically derived densities at the proton site. The calculation has been made in two ways; when the six water molecules in the octahedral configuration around the Cu 2+ are placed in some fixed symmetrical positions and when water molecule is rotating around the CuO bond. Comparison gives CuH distances of 2.34 Å for the first case and 2.34 Å for the second case. It is expected that 2.34 Å represents the lower limit of the CuH distance in the complex.
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