Mishra, A. K. ; Murli, Chitra ; Garg, Nandini ; Chitra, R. ; Sharma, Surinder M. (2010) Pressure-induced structural transformations in bis(glycinium)oxalate The Journal of Physical Chemistry B, 114 (51). pp. 17084-17091. ISSN 1089-5647
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp105433b
Related URL: http://dx.doi.org/10.1021/jp105433b
Abstract
We report in situ high-pressure Raman spectroscopic as well as X-ray diffraction measurements on bis(glycinium)oxalate, an organic complex of glycine, up to 35 GPa. Several spectral features indicate that at ~1.7 GPa it transforms to a new structure (phase II) which is characterized by the loss of the center of symmetry and the existence of two nonidentical glycine molecules. Across the transition, all the N-H···O bonds are broken and new weaker N-H···O bonds are formed. Our high-pressure X-ray diffraction studies support the possibility of a non-centrosymmetric space group P21 for phase II. Across 5 GPa, another reorganization of N-H···O hydrogen bonds takes place along with a structural transformation to phase III. The C-C stretching mode of oxalate shows pressure-induced softening with large reduction from the initial value of 856 to 820 cm−1 up to 18 GPa, and further softening is hindered at higher pressures.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Chemical Society. |
ID Code: | 48206 |
Deposited On: | 14 Jul 2011 08:33 |
Last Modified: | 14 Jul 2011 08:33 |
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