LAUSR

Organic–inorganic hybrid [NH3(CH2)6NH3]ZnBr4 crystals were prepared by slow evaporation; the crystals had a monoclinic structure with space group P21/c and lattice constants a = 7.7833 Å, b = 14.5312 Å, c = 13.2396 Å, β = 90.8650°, and Z = 4. They underwent two phase transitions, at 370 K (TC1) and 430 K (TC2), as confirmed by powder X-ray diffraction patterns at various temperatures; the crystals were stable up to 600 K. The nuclear magnetic resonance spectra, obtained using the magic-angle spinning method, demonstrated changes in the 1H and 13C chemical shifts were observed near TC1, indicating changing structural environments around 1H and 13C. The spin–lattice relaxation time, T1ρ, increased rapidly near TC1 suggesting very large energy transfer, as indicated by a large thermal displacement around the 13C atoms of the cation. However, the environments of 1H, 14N, and C1 located close to NH3 in the [NH3(CH2)6NH3] cation did not influence it significantly, indicating a minor change in the N–H⋯Br hydrogen bond with the coordination geometry of the ZnBr4 anion. We believe that the information on the physiochemical properties and thermal stability of [NH3(CH2)6NH3]ZnBr4, as discussed in this study, would be key to exploring its application in stable, environment friendly solar cells.