The high-resolution, jet-cooled infrared spectrum of pentafluoroethane

Autor: Robert L. Sams, Thomas A. Blake, Whitney R. Hess, Lisa M. Goss
Rok vydání: 2011
Předmět:
Zdroj: Journal of Molecular Spectroscopy. 265:81-85
ISSN: 0022-2852
Popis: The jet-cooled spectrum of pentafluoroethane (C 2 HF 5 ) has been recorded between 1100 and 1325 cm −1 at a resolution of 0.0022 cm −1 . A rotational temperature of approximately 10 K was achieved by expanding 50 Torr of C 2 HF 5 in 500 Torr of helium. Transitions belonging to five different fundamental vibrations have been assigned and fit to a Watson Hamiltonian: the ν 3 band at 1309.880494(189) cm −1 , ν 4 at 1200.734645(67) cm −1 , ν 5 at 1142.78147(33) cm −1 , ν 13 at 1223.334098(115) cm −1 , and ν 14 at 1147.394185(163) cm −1 . The fit of the ν 4 band has an rms deviation of 0.000436 cm −1 compared to the uncertainty in the experimental line position of 0.0002 cm −1 . Satisfactory fits were achieved for the other four bands ( ν 3 , ν 5 , ν 13 , ν 14 ) at this cold temperature, with most of the centrifugal distortion constants fixed at the ground state values. Joint fits with previous work were attempted for the ν 4 and ν 13 , successfully in the former case and unsuccessfully in the latter.
Databáze: OpenAIRE