Vibrational, XRD and C-13 NMR studies of DL-phenylglycinium methanesulfonate crystal

doi:10.1016/j.saa.2016.05.046

Title:	Vibrational, XRD and C-13 NMR studies of DL-phenylglycinium methanesulfonate crystal
Authors:	Woloszyn, Lukasz Ilczyszyn, Marek Ilczyszyn, Maria M. Haupa, Karolina 應用化學系應用化學系分子科學碩博班 Department of Applied Chemistry Institute of Molecular science
Keywords:	Phenylglycinium cation;Methanesulfonic anion;Solid state NMR spectroscopy;IR spectroscopy;Hydrogen bonds
Issue Date:	5-Nov-2016
Abstract:	A new crystal formed by DL-phenylglycine and methanesulfonic acid (PGLYMS) was obtained and studied by Xray 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 P2(1)/c space group of monoclinic system (Z = 4). Detailed analysis of its structure and its IR, Raman and NMR spectra is presented. (C) 2016 Elsevier B.V. All rights reserved.
URI:	http://dx.doi.org/10.1016/j.saa.2016.05.046 http://hdl.handle.net/11536/134008
ISSN:	1386-1425
DOI:	10.1016/j.saa.2016.05.046
Journal:	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume:	168
Begin Page:	139
End Page:	147
Appears in Collections:	Articles