Rovibrational Analysis of the ν1, ν4, ν1 + ν4 and ν1 − ν4 Bands of 13CF4
Ons Ben Fathallah, Romain Terrier, Laurent Manceron, Cyril Richard, Vincent Boudon
TL;DR
This paper analyzes the vibrational and rotational properties of 13CF4 using high-resolution infrared spectroscopy.
Contribution
A global rovibrational analysis of four vibrational bands of 13CF4 using a Td symmetry-adapted tensorial formalism.
Findings
Precise spectroscopic constants were derived for 13CF4 using a global analysis of four vibrational bands.
8992 transitions were assigned with an RMS deviation of 0.0022 cm−1, confirming the model's accuracy.
The results support future line list development for spectroscopic databases like TFMeCaSDa, HITRAN, and GEISA.
Abstract
We present a high-resolution infrared spectroscopic study of four vibrational bands of the 13CF4 isotopologue: the symmetric stretching fundamental ν1, the triply degenerate bending mode ν4, the combination band ν1+ν4, and the hot band ν1−ν4. A global analysis was performed using a tensorial formalism adapted to the Td symmetry group, allowing for consistent modelling of rotational structures. Reduced energy levels were extracted and fitted simultaneously for the four levels, yielding precise spectroscopic constants. The derived parameters enhance the spectroscopic characterization of 13CF4, a species of interest for isotopic studies and environmental monitoring. A total of 8992 transitions were assigned in the investigated spectral regions. The quality of fit is confirmed by a root mean square (RMS) deviation of about 0.0022 cm−1, highlighting the accuracy of the effective Hamiltonian…
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Taxonomy
TopicsSpectroscopy and Laser Applications · Astrophysics and Star Formation Studies · Atmospheric Ozone and Climate