Isomeric transitions in size-selected methanol hexamers probed by OH-stretch spectroscopy

Phys Chem Chem Phys. 2006 Jun 21;8(23):2752-8. doi: 10.1039/b604715g. Epub 2006 May 17.

Abstract

We have measured the isomeric transition between the energetically lowest lying isomers of S6 and C2-symmetry of (CH3OH)6. The clusters are size-selected by deflection in collisions with He, and the isomers are identified by their infrared spectra of the OH-stretching vibration. The measurements are carried out at three source temperatures 253, 300 and 373 K which correspond to the cluster temperatures 93, 106 and 135 K. The latter ones are estimated by a relaxation model that accounts for the cluster formation and the energy released by the condensation. The transition takes place at a cluster temperature of about 102 K which is in agreement with the Molecular Dynamics simulation of such a transition at about 117 K using a realistic model potential.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Isomerism
  • Macromolecular Substances / chemistry
  • Methanol / chemistry*
  • Models, Chemical
  • Phase Transition*
  • Quantum Theory
  • Spectrophotometry, Infrared
  • Temperature

Substances

  • Macromolecular Substances
  • Methanol