The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5-(CF3 )2 Pz]Ag}3

Magn Reson Chem. 2022 Apr;60(4):442-451. doi: 10.1002/mrc.5242. Epub 2022 Jan 7.

Abstract

A series of DOSY experiments have been carried out to determine the solution stoichiometry of silver(I) 3,5-bis (trifluoromethyl)pyrazolate species. This compound exists as a trimer in the solid state (n = 3) but in solutions of chlorinated solvents, the DOSY data suggest the presence of a mixture of solvent stabilized monomer (n = 1) and dimer (n = 2) in equilibrium. Different approximations have been used including the Stokes-Einstein and the Stokes-Einstein-Gierer-Wirtz equations. Some methodological problems are discussed.

Keywords: DOSY; SEGWE; Stokes-Einstein; fractal dimension; silver pyrazolates; stoichiometry.