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 journalArticlepeer-review

96 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 languageEnglish
Pages (from-to)4182-4193
Number of pages12
JournalJournal of Chemical Physics
Volume120
Issue number9
DOIs
Publication statusPublished - Mar 1 2004
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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