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

Zubavichus, Yan; Shaporenko, Andrey; Grunze, Michael; Zharnikov, Michael

doi:10.1021/jp056118p

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

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Grunze, Michael
Cellular Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

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https://pubs.acs.org/doi/pdf/10.1021/jp056118p
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https://pubs.acs.org/doi/suppl/10.1021/jp056118p/suppl_file/jp056118psi20060104_033330.pdf
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https://doi.org/10.1021/jp056118p
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Citation

Zubavichus, Y., Shaporenko, A., Grunze, M., & Zharnikov, M. (2006). Solid-state near-edge X-ray absorption fine structure spectra of glycine in various charge states. The Journal of Physical Chemistry B, 110(7), 3420-3427. doi:10.1021/jp056118p.

Cite as: https://hdl.handle.net/21.11116/0000-0001-A973-F

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.