de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Datenschutzhinweis Impressum Kontakt
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Mid- and Far-IR spectra of H5+ and D5+ compared to the predictions of anharmonic theory

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons21678

Jiang,  Ling
Molecular Physics, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21310

Asmis,  Knut R.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Cheng, T. C., Jiang, L., Asmis, K. R., Wang, Y., Bowman, J. M., Ricks, A. M., et al. (2012). Mid- and Far-IR spectra of H5+ and D5+ compared to the predictions of anharmonic theory. The Journal of Physical Chemistry Letters, 3(21), 3160-3166. doi:10.1021/jz301276f.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000F-EF78-6
Zusammenfassung
H5+ is the smallest proton-bound dimer. As such, its potential energy surface and spectroscopy are highly complex, with extreme anharmonicity and vibrational state mixing; this system provides an important benchmark for modern theoretical methods. Unfortunately, previous measurements covered only the higher-frequency region of the infrared spectrum. Here, spectra for H5+ and D5+ are extended to the mid- and far-IR, where the fundamental of the proton stretch and its combinations with other low-frequency vibrations are expected. Ions in a supersonic molecular beam are mass-selected and studied with multiple-photon dissociation spectroscopy using the FELIX free electron laser. A transition at 379 cm-1 is assigned tentatively to the fundamental of the proton stretch of H5+ , and bands throughout the 300−2200 cm-1 region are assigned to combinations of this mode with bending and torsional vibrations. Coupled vibrational calculations, using ab initio potential and dipole moment surfaces, account for the highly anharmonic nature of these complexes.