Far-Infrared Band Strengths in the Water Dimer: Experiments and Calculations.

Summary, in English

Most fundamentals modes of the water dimer have been experimentally determined, and the frequencies have been measured in either neon or parahydrogen matrices. The band strengths of all intramolecular and most intermolecular fundamentals of the water dimer have been measured. The results are further corroborated by comparison with the corresponding data for the fully deuterated water dimer. DFT calculations of the mode frequencies and band strength are in qualitative agreement with the experimental observations.

• Författare: Justinas Ceponkus; Per Uvdal; Bengt Nelander
• Avdelning/ar: Kemisk fysik; MAX IV-laboratoriet
• Publiceringsår: 2008
• Språk: Engelska
• Sidor: 3921-3926
• Publikation/Tidskrift/Serie: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
• Volym: 112
• Issue: 17
• Länkar: http://dx.doi.org/10.1021/jp711178w
• Dokumenttyp: Artikel i tidskrift
• Förlag: The American Chemical Society (ACS)
• Ämne: Atom and Molecular Physics and Optics; Physical Sciences; Natural Sciences
• Status: Published
• ISBN/ISSN/Övrigt: ISSN: 1520-5215