Proton Migration in Clusters Consisting of Protonated Pyridine Solvated by Water Molecules

Chemphyschem. 2015 Oct 26;16(15):3151-5. doi: 10.1002/cphc.201500465. Epub 2015 Sep 2.

Abstract

Proton transfer (PT) from protonated pyridine to water molecules is observed after excitation of microhydrated protonated pyridine (Py) clusters PyH(+) (H2 O)n (n=0-5) is induced by a single collision with an Ar atom at high incident velocity (95×10(3) m s(-1) ). Besides the fragmentation channel associated with the evaporation of water molecules, the charged-fragment mass spectrum shows competition between the production of the PyH(+) ion (or its corresponding charged fragments) and the production of H(+) (H2 O) or H(+) (H2 O)2 ions. The increase in the production of protonated water fragments as a function of the number of H2 O molecules in the parent cluster ion as well sd the observation of a stable H(+) (H2 O)2 fragment, even in the case of the dissociation of PyH(+) (H2 O)2 , are evidence of the crucial role of PT in the relaxation process, even for a small number of solvating water molecules.

Keywords: biomolecular clusters; density functional calculations; mass spectrometry; proton transfer; protonated pyridine-water clusters.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Protons
  • Pyridines / chemistry*
  • Solubility
  • Water / chemistry*

Substances

  • Protons
  • Pyridines
  • Water
  • pyridine