Vibrational, XRD and (13)C NMR studies of DL-phenylglycinium methanesulfonate crystal.
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.
Faculty of Chemistry, Wrocław University, Joliot Curie 14, 50-383 Wrocław, Poland.
Łukasz
Ł
Wołoszyn
Faculty of Chemistry, Wrocław University, Joliot Curie 14, 50-383 Wrocław, Poland.
Marek
M
Ilczyszyn
Faculty of Chemistry, Wrocław University, Joliot Curie 14, 50-383 Wrocław, Poland. Electronic address: maria.ilczyszyn@chem.uni.wroc.pl.
Maria M
MM
Ilczyszyn
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.
Karolina
K
Haupa
Hydrogen bonds; IR spectroscopy; Methanesulfonic anion; Phenylglycinium cation; Solid state NMR spectroscopy