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Vibrational, XRD and (13)C NMR studies of DL-phenylglycinium methanesulfonate crystal. | LitMetric
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Vibrational, XRD and (13)C NMR studies of DL-phenylglycinium methanesulfonate crystal.

Łukasz Wołoszyn Marek Ilczyszyn Maria M Ilczyszyn Karolina Haupa

Spectrochim Acta A Mol Biomol Spectrosc

Faculty of Chemistry, Wrocław University, Joliot Curie 14, 50-383 Wrocław, Poland; Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, Hsinchu 30010, Taiwan.

Published: November 2016

A new crystal formed by DL-phenylglycine and methanesulfonic acid (PGLYMS) was obtained and studied by X-ray diffraction, IR and Raman spectroscopy, solid state NMR and DSC methods. Additionally, theoretical computations for the phenylglycine cation were carried out (DFT/B3LYP/aug-cc-pVDZ). Our results show that PGLYMS does not exhibit any phase transitions and crystallizes in the P21/c space group of monoclinic system (Z=4). Detailed analysis of its structure and its IR, Raman and NMR spectra is presented.

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 Source
http://dx.doi.org/10.1016/j.saa.2016.05.046DOI Listing

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