Intramolecular interactions in protonated peptides: H+PheGlyGly and H+GlyGlyPhe

Timothy D. Vaden, Tjalling S.J.A. De Boer, John P. Simons, Lavina C. Snoek

Research output: Contribution to journalArticlepeer-review

36 Scopus citations


The conformations of protonated PheGlyGly and GlyGlyPhe tripeptides, generated at temperatures ∼300-350 K through a photochemical mechanism, were investigated in the gas phase using R-IRMPD spectroscopy in the OH and NH stretch region in combination with quantum chemistry calculations. The results aid characterisation of their conformational landscapes and specifically, help identify the intramolecular interactions that control the peptide conformations. The dominant intramolecular interaction in protonated PheGlyGly operates between the N-and C-termini but in protonated GlyGlyPhe there is a strong cation-π interaction. The observation of a cation-π interaction in the warm ions highlights its strong, stable nature.

Original languageEnglish (US)
Pages (from-to)1443-1447
Number of pages5
JournalPhysical Chemistry Chemical Physics
Issue number10
StatePublished - Mar 7 2008

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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