Rotational spectra and dynamics of the van der Waals adducts of neon and argon with 1,1-difluoroethylene

The free jet millimeter wave spectra of the complexes of Ne and Ar with 1,1-difluoroethylene are reported. Information on the equilibrium configurations, dynamics, and dissociation energies of these weakly bonded complexes are obtained from their nonrigidity. The vibrational doubling (0.78 MHz) of t...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2000-02, Vol.112 (5), p.2204-2209
Hauptverfasser: Dell’Erba, Adele, Melandri, Sonia, Millemaggi, Aldo, Caminati, Walther, Favero, Paolo G.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The free jet millimeter wave spectra of the complexes of Ne and Ar with 1,1-difluoroethylene are reported. Information on the equilibrium configurations, dynamics, and dissociation energies of these weakly bonded complexes are obtained from their nonrigidity. The vibrational doubling (0.78 MHz) of the rotational transitions of 1,1-difluoroethylene–Ne has been useful in scaling the ab initio potential energy function calculated for the tunneling of Ne above and below the plane of 1,1-difluoroethylene. This motion is hindered by a barrier of about 36 cm−1 at the planar C2v configuration.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.480786