Ionic dynamics of the cation in organic–inorganic hybrid compound (CH(3)NH(3))(2)MCl(4) (M = Cu and Zn) by (1)H MAS NMR, (13)C CP MAS NMR, and (14)N NMR

The ionic dynamics of (CH(3)NH(3))(2)MCl(4) (M = Cu, Zn) by (1)H magic-angle spinning (MAS) nuclear magnetic resonance (NMR), (13)C cross-polarization (CP) MAS NMR, and (14)N NMR are investigated as a function of temperature with a focus on the role of the CH(3)NH(3)(+) cation. The molecular motions in (CH(3)NH(3))(2)MCl(4) are also discussed based on the (1)H spin–lattice relaxation time in the rotating coordinate frame T(1ρ). From the (1)H T(1ρ) results, the activation energies for the tumbling motion of (1)H for CH(3) and NH(3) were similar, and the uniaxial rotations occurred within a large temperature range. The molecular motions for (13)C and (14)N of the main chain in the CH(3)NH(3)(+) cation were rigid, whereas those for (1)H of the side chain in the CH(3)NH(3)(+) cation were very free at high temperatures. T(1ρ) provides insight into the changes in the cation reorientation rates induced by heating at high temperatures.