Dimension of solvation shell

✍ Scribed by R.J. Singh; H. Singh; D.K. Tyagi

• Publisher: Elsevier Science
• Year: 1976
• Tongue: English
• Weight: 279 KB
• Volume: 42
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(76)80382-x

✦ Synopsis

When paramagnetic salts (like CuC12 -2HzO) are dissoIv=d 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 delocaliition of unpaired electrons of the paramagnetic ion on to the salvation shell. The probability density of the delocalized electrons being at the proton site in the solvation shell is derived from NhIR 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 Cu2+ are placed in some fixed symmetrical positions and when the water molecxlle is rotating around the Cu-0 bond. Comparison gives Cu-EZ distances of 2.43A for the first case and 2.34A for the second case. It is expected that 2.34 A represents the lower limit of the Cu-H distance in the complex.