New investigation of the ν 3 C-H stretching region of 12CH4 through the analysis of high temperature infrared emission spectra

Autor: Aline Gardez, Robert Georges, Badr Amyay, Ludovic Biennier, Vincent Boudon, Cyril Richard, Jean Vander Auwera
Přispěvatelé: Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] ( LICB ), Université de Technologie de Belfort-Montbeliard ( UTBM ) -Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Institut de Physique de Rennes ( IPR ), Université de Rennes 1 ( UR1 ), Université de Rennes ( UNIV-RENNES ) -Université de Rennes ( UNIV-RENNES ) -Centre National de la Recherche Scientifique ( CNRS ), Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles [Bruxelles] ( ULB ), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Université libre de Bruxelles (ULB), ANR-16-CE31-0005,e-PYTHEAS,Etude des hydrocarbures en émission et absorption dasn les exoplanètes à haute température(2016), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)
Jazyk: angličtina
Rok vydání: 2018
Předmět:
010504 meteorology & atmospheric sciences
Infrared
Ground state
Limited resolution
General Physics and Astronomy
Infrared spectroscopy
Physique atomique et moléculaire
Root mean square deviations
01 natural sciences
Hot band
Vibration rotations
Root mean square
Stretching region
Effective parameters
0103 physical sciences
Kinetic isotope effect
Infrared emission spectrum
[CHIM]Chemical Sciences
Chimie
Standard deviation
Emission spectrum
Physical and Theoretical Chemistry
010303 astronomy & astrophysics
0105 earth and related environmental sciences
Line (formation)
Physics
[PHYS]Physics [physics]
[ PHYS ] Physics [physics]
CRESU
Emission spectroscopy
Emission spectrums
Spectroscopie [électromagnétisme
optique
acoustique]
Atomic physics
Phase equilibria
Molecular physics
Methane
Dimensionless quantity
Zdroj: Journal of Chemical Physics
Journal of Chemical Physics, 2018, 148 (13), pp. 134306. 〈10.1063/1.5023331〉
The Journal of Chemical Physics, 148 (13
Journal of Chemical Physics, 2018, 148 (13), pp.134306. ⟨10.1063/1.5023331⟩
Journal of Chemical Physics, American Institute of Physics, 2018, 148 (13), pp.134306. ⟨10.1063/1.5023331⟩
ISSN: 0021-9606
1089-7690
DOI: 10.1063/1.5023331〉
Popis: The ν3 C-H stretching region of methane was reinvestigated in this work using high temperature (620-1715 K) emission spectra recorded in Rennes at Doppler limited resolution. This work follows our recent global analysis of the Dyad system Δn = ±1 (1000-1500 cm-1), with n being the polyad number [B. Amyay et al. J. Chem. Phys. 144, 24312 (2016)]. Thanks to the high temperature, new assignments of vibration-rotation methane line positions have been achieved successfully in the Pentad system and some associated hot bands (Δn = ±2) observed in the spectral region 2600-3300 cm-1. In particular, rotational assignments in the cold band [Pentad-ground state (GS)] and in the first related hot band (Octad-Dyad) were extended up to J = 30 and 27, respectively. In addition, 1525 new transitions belonging to the Tetradecad-Pentad hot band system were assigned for the first time, up to J = 20. The effective global model used to deal with the new assignments was developed to the 6th order for the first three polyads (Monad, Dyad, and Pentad), and to the 5th order for both the Octad and the Tetradecad. 1306 effective parameters were fitted with a dimensionless standard deviation σ = 2.64. The root mean square deviations dRMS obtained are 4.18 × 10-3 cm-1 for the Pentad-GS cold band, 2.48 × 10-3 cm-1 for the Octad-Dyad, and 1.43 × 10-3 cm-1 for the Tetradecad-Pentad hot bands.
SCOPUS: ar.j
info:eu-repo/semantics/published
Databáze: OpenAIRE
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