Solid-state near-edge X-ray absorption fine structure spectra of glycine in various charge states.
The experimental solid-state near-edge X-ray absorption fine structure spectra for a series of glycine-related samples including alpha-glycine, beta-glycine, glycinium chloride, glycinium trifluoroacetate, and sodium glycinate at the C, N, and O K-edges measured under identical conditions are reported and compared. An assignment of spectral features for alpha-glycine is proposed on the basis of extended theoretical simulations of polarization-dependent spectra performed within the real-space multiple-scattering formalism explicitly taking into account the intermolecular environment of a glycine molecule in a crystal.
Zubavichus
Yan
Y
Angewandte Physikalische Chemie, University of Heidelberg, INF 253, 69120 Heidelberg, Germany. Yan.Zubavichus@urz.uni-heidelberg.de
Shaporenko
Andrey
A
Grunze
Michael
M
Zharnikov
Michael
M
D000327:Adsorption; D002412:Cations; D002627:Chemistry, Physical / Q000379:methods*; D003460:Crystallization; D005998:Glycine / Q000737:chemistry*; D008958:Models, Molecular; D008962:Models, Theoretical; D008968:Molecular Conformation; D011208:Powders; D011487:Protein Conformation; D012964:Sodium / Q000737:chemistry; D013499:Surface Properties; D014867:Water / Q000737:chemistry; D014961:X-Ray Diffraction
D002412:Cations; D011208:Powders; D014867:Water; D012964:Sodium; D005998:Glycine