Neutral and zwitterionic glycine.H2O complexes: A theoretical and matrix-isolation Fourier transform infrared study

Riet Ramaekers; Joanna Pajak; Bert Lambie; Guido Maes

doi:10.1063/1.1643735

Neutral and zwitterionic glycine.H₂O complexes: A theoretical and matrix-isolation Fourier transform infrared study

Riet Ramaekers
, Joanna Pajak
, Bert Lambie
, Guido Maes

Research output: Contribution to journal › Article › peer-review

100 Citations (Scopus)

Abstract

Hydrogen bond interactions in zwitterionic glycine.H₂O complexes were investigated using Fourier transform infrared methodology and density functional theory (DFT). It was observed that a set of characterstic infrared absorption bands occurs in low temperature argon (Ar) matrices for the zwitterionic structure. It was observed that conformation I of glycine was slightly more stable than conformation III in Ar matrices. It was also observed that partial proton transfer towards a zwitterionic glycine.water structure was due to annealing matrices glycine/H₂O/Ar with larger water/Ar ratio.

Original language	English
Pages (from-to)	4182-4193
Number of pages	12
Journal	Journal of Chemical Physics
Volume	120
Issue number	9
DOIs	https://doi.org/10.1063/1.1643735
Publication status	Published - Mar 1 2004
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "Hydrogen bond interactions in zwitterionic glycine.H2O complexes were investigated using Fourier transform infrared methodology and density functional theory (DFT). It was observed that a set of characterstic infrared absorption bands occurs in low temperature argon (Ar) matrices for the zwitterionic structure. It was observed that conformation I of glycine was slightly more stable than conformation III in Ar matrices. It was also observed that partial proton transfer towards a zwitterionic glycine.water structure was due to annealing matrices glycine/H2O/Ar with larger water/Ar ratio.",

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AU - Pajak, Joanna

AU - Lambie, Bert

AU - Maes, Guido

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Y1 - 2004/3/1

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AB - Hydrogen bond interactions in zwitterionic glycine.H2O complexes were investigated using Fourier transform infrared methodology and density functional theory (DFT). It was observed that a set of characterstic infrared absorption bands occurs in low temperature argon (Ar) matrices for the zwitterionic structure. It was observed that conformation I of glycine was slightly more stable than conformation III in Ar matrices. It was also observed that partial proton transfer towards a zwitterionic glycine.water structure was due to annealing matrices glycine/H2O/Ar with larger water/Ar ratio.

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Neutral and zwitterionic glycine.H₂O complexes: A theoretical and matrix-isolation Fourier transform infrared study

Abstract

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