Webbläsaren som du använder stöds inte av denna webbplats. Alla versioner av Internet Explorer stöds inte längre, av oss eller Microsoft (läs mer här: * https://www.microsoft.com/en-us/microsoft-365/windows/end-of-ie-support).

Var god och använd en modern webbläsare för att ta del av denna webbplats, som t.ex. nyaste versioner av Edge, Chrome, Firefox eller Safari osv.

Intermolecular vibrations of different isotopologs of the water dimer: Experiments and density functional theory calculations.

In English

Författare

Summary, in English

Far infrared spectra of seven different isotopologs of the water dimer have been measured in neon matrices at 2.8 K. The experiments are interpreted with the aid of density functional theory calculations, in particular the calculated harmonic isotopic shifts were utilized. All six intermolecular vibrational modes of the water dimer and the fully deuterated water dimer are assigned based the isotopic shifts induced. 31 of a total of 42 intermolecular fundamental modes of the seven different H, D, and (18)O containing water dimers have been experimentally observed and assigned accordingly. The overall agreement between the calculations and the experiments of all isotopologs results in a complete and consistent description of these modes.

Publiceringsår

2008

Språk

Engelska

Publikation/Tidskrift/Serie

Journal of Chemical Physics

Volym

129

Issue

19

Dokumenttyp

Artikel i tidskrift

Förlag

American Institute of Physics (AIP)

Ämne

  • Physical Sciences
  • Atom and Molecular Physics and Optics
  • Natural Sciences

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 0021-9606