期刊
INORGANIC CHEMISTRY
卷 53, 期 18, 页码 9615-9624出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic501074x
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资金
- National Center for Science (NCN) in Poland [DEC-2011/03/B/ST5/01019]
- NCN [DEC-2011/03/B/ST5/01019]
Vibrational properties and the temperature-induced phase transition mechanism have been studied in [NH4][Zn(HCOO)(3)] and [ND4][Zn(DCOO)(3)] metal organic frameworks by variable-temperature dielectric, IR, and Raman measurements. DFT calculations allowed proposing the detailed assignment of vibrational modes to respective motions of atoms in the unit cell. Temperature-dependent studies reveal a very weak isotopic effect on the phase transition temperature and confirm that ordering of ammonium cations plays a major role in the mechanism of the phase transition. We also present high-pressure Raman scattering studies on [ND4][Zn(DCOO)(3)]. The results indicate the rigidity of the formate ions and strong compressibility of the ZnO6 octahedra. They also reveal the onset of a pressure-induced phase transition at about 1.1 GPa. This transition has strong first-order character, and it is associated with a large distortion of the metal formate framework. Our data indicate the presence of at least two nonequivalent formate ions in the high-pressure structure with very different C-D bonds. The decompression experiment shows that the transition is reversible.
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