1H NMR study of molecular dynamics and phase transition in (NH4)2ZnBr4

Abstract

The proton second moment (M 2) and spin-lattice relaxation time (T 1) have been measured in (NH4)2ZnBr4 in the range 77–300 K. The room-temperature spectrum shows a structure which disappears around 243 K. The signal is strong and narrow even at 77 K. Proton T 1 shows a maximum at 263 K, caused by spin rotation interaction and decreases with decreasing temperature till 235 K, where it shows a sudden increase. Below 235 K, again it decreases and shows a slope change around 216.5 K (reported Tc ). From 216.5 K, T 1 decreases continuously without exhibiting any minimum down to 77 K. The narrow line at 77 K, and absence of a T 1 minimum down to 77 K indicate the possibility of quantum mechanical tunnelling in this system. Motional parameters such as activation energy and pre-exponential factor have been evaluated for the reorientational motion of the NH+ 4 ion.