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Tetrafluoroethylene: high resolution FTIR spectroscopy

Authors: Evan G. Robertson; Christopher D. Thompson; Dominique Appadoo; Don McNaughton;

Tetrafluoroethylene: high resolution FTIR spectroscopy

Abstract

High resolution FTIR spectra of tetrafluoroethylene (TFE) were measured in a cell cooled to approximately 160 K. Rovibrational analyses of ν9, the b-type band at 1339.9 cm−1 and ν11, the a-type band at 1187.6 cm−1 led to assignment of 2691 and 3101 lines respectively, with Jmax = 87. Ground state combination differences generated from these transitions were fitted to give the first spectroscopically derived rotational constants for this molecule (A0 = 5512.790 ± .011 MHz, B0 = 3237.899 ± .028 MHz, C0 = 2038.495 ± .006 MHz). An MP2/TZV + (3df) structure, with rCC = 132.52 pm, rCF = 131.43, ∠CCF = 123.273°, gives rotational constants within 0.12% of the estimated re constants. Fitted ground state centrifugal distortion constants are in excellent agreement with those calculated from ab initio harmonic force fields. Rovibrational spectroscopic constants were also derived for ν9 and ν11. Fitting the rotational levels of ν9 required treatment of a dark state that gives rise to local perturbations through a c-axis Coriolis interaction.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
10
Average
Top 10%
Average
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