%0 Journal Article %1 WOS:000341747900019 %A Maczka, Miroslaw %A Kadlubanski, Pawel %A Freire, Paulo Tarso Cavalcante %A Macalik, Boguslaw %A Paraguassu, Waldeci %A Hermanowicz, Krysztof %A Hanuza, Jerzy %C 1155 16TH ST, NW, WASHINGTON, DC 20036 USA %D 2014 %I AMER CHEMICAL SOC %J INORGANIC CHEMISTRY %K imported %N 18 %P 9615-9624 %R 10.1021/ic501074x %T Temperature- and Pressure-Induced Phase Transitions in the Metal Formate Framework of ND4Zn(DCOO)(3) and NH4Zn(HCOO)(3) %V 53 %X Vibrational properties and the temperature-induced phase transition mechanism have been studied in NH4Zn(HCOO)(3) and ND4Zn(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 ND4Zn(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.

@article{WOS:000341747900019, abstract = {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.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, author = {Maczka, Miroslaw and Kadlubanski, Pawel and Freire, Paulo Tarso Cavalcante and Macalik, Boguslaw and Paraguassu, Waldeci and Hermanowicz, Krysztof and Hanuza, Jerzy}, biburl = {https://www.bibsonomy.org/bibtex/2e2d0364109cc838f8f0fb4feaceab858/ppgfis_ufc_br}, doi = {10.1021/ic501074x}, interhash = {27b064096ebf4cf0397b58e33978b784}, intrahash = {e2d0364109cc838f8f0fb4feaceab858}, issn = {0020-1669}, journal = {INORGANIC CHEMISTRY}, keywords = {imported}, number = 18, pages = {9615-9624}, publisher = {AMER CHEMICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Temperature- and Pressure-Induced Phase Transitions in the Metal Formate Framework of [ND4][Zn(DCOO)(3)] and [NH4][Zn(HCOO)(3)]}, tppubtype = {article}, volume = 53, year = 2014 }