Spectroscopic studies of proton transfer in hydrogen bonding: Adenine complexed to HCl

A. Dkhissi, L. Houben, L. Adamowicz, G. Maes

Research output: Contribution to journalArticle

6 Scopus citations

Abstract

The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N1+-H⋯Cl-⋯H-NH; N 3+-H⋯Cl-⋯H-N9 and N7+-H⋯Cl-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.

Original languageEnglish (US)
Pages (from-to)362-366
Number of pages5
JournalChemical Physics Letters
Volume387
Issue number4-6
DOIs
StatePublished - Apr 1 2004

ASJC Scopus subject areas

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

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