Abstract
Glyphosate, N-(phosphonomethyl)glycine, (C3H8NO5P), was obtained through
the method of slow evaporation method from aqueous solution and its
structure analyzed through X-ray diffraction and the Rietveld method.
The normal modes of the crystal were investigated using Raman
spectroscopy and Density Functional Theory to obtain the assignment of
most of the normal modes in the spectral range between 3070 and 45
cm(-1). The crystal was compressed to high pressure through a diamond
anvil cell, up to 62 GPa. From the behavior of the modes corresponding
to both internal modes and lattice modes it was possible to discovery
two phase transitions undergone by glyphosate, one between 0.97 and 15
GPa and other in the pressure interval 429-4.63 GPa The analysis of the
Raman spectra also indicates a certain disorder and conformational
changes of the molecules in the unit cell at high pressure.
Additionally, the phase transitions revealed to be reversible, with no
cracking of the sample in the compression - decompression run. (C) 2020
Elsevier B.V. All rights reserved.
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