Proton positions and the hydrogen bonding scheme in some diamagnetic tutton's salts—Single crystal PMR study

Abstract

Single crystal proton magnetic resonance (PMR) studies of three diamagnetic Tutton's salts, K 2M(SO 4) 2·6H 2O, M = Cd, Mg and Zn, are reported. The proton positions in these salts are determined using El Saffar's empirical procedure. The hydrogens participate in bonding with the oxygens of the sulphate groups. The H-bonding is estimated to be very strong since the H…O s length is smaller than 2.6 Å. The O w-H…O s hydrogen bond is non-linear ( $ ̃ 173°), and plays a dominant role in determining the crystal packing.