Raman, Infrared, and Theoretical Studies of Fluorofullerene C60F20

Improved synthetic and isolation procedures have been developed that resulted in the preparation of pure C60F20 in sufficient amounts for comprehensive vibrational spectroscopic studies. The FTIR spectrum, the first Raman spectrum, and DFT vibrational calculations of the two possible D 5 d -symmetry...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (51), p.11449-11456
Hauptverfasser: Popov, Alexey A, Goryunkov, Alexey A, Goldt, Ilya V, Kareev, Ivan E, Kuvychko, Igor V, Hunnius, Wolf-Dietrich, Seppelt, Konrad, Strauss, Steven H, Boltalina, Olga V
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Improved synthetic and isolation procedures have been developed that resulted in the preparation of pure C60F20 in sufficient amounts for comprehensive vibrational spectroscopic studies. The FTIR spectrum, the first Raman spectrum, and DFT vibrational calculations of the two possible D 5 d -symmetry isomers of C60F20 provide compelling evidence in favor of the previously proposed Saturn-like structure of this fluorofullerene. Excellent agreement between the experimental and simulated spectra allowed a complete vibrational assignment for C60F20 to be made.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp046214a