Solid-state near-edge X-ray absorption fine structure spectra of glycine in various charge states

J Phys Chem B. 2006 Feb 23;110(7):3420-7. doi: 10.1021/jp056118p.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adsorption
  • Cations
  • Chemistry, Physical / methods*
  • Crystallization
  • Glycine / chemistry*
  • Models, Molecular
  • Models, Theoretical
  • Molecular Conformation
  • Powders
  • Protein Conformation
  • Sodium / chemistry
  • Surface Properties
  • Water / chemistry
  • X-Ray Diffraction

Substances

  • Cations
  • Powders
  • Water
  • Sodium
  • Glycine