Abstract
This chapter provides the Coriolis and Darling-Dennison coupling parameters for the interacting triad {(012), (210), (111)} and dark (040) vibrational states of 16O3 measured using Fourier transform spectroscopy.
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Natural isotopic abundance: 0.992728.
Reference | [99Mik2] |
Method | Fourier transform spectroscopy. |
Equations | Equations 6, 7, 19, and 20 in chapter “Introduction”. |
Statistical errors | One standard deviation. |
Remarks | All values are given in cm−1. Molecular constants determined in the same fit are given in chapter “16O3 Vibrational Energy and Rotational and Centrifugal Distortion Constants for the Interacting Triad {(012), (210), (111)} and Dark (040) Vibrational States. Coupling Interaction Between the (111) and the Dark (040) States”. The Darling-Dennison interaction between the (012) and (210) states is included in the fit with only one fixed parameter taken equal, as in chapter “16O3 Coriolis and Darling-Dennison Coupling Constants for the (002), (101), and (200) Vibrational States”, to −27.0 cm−1. Actually, no rotation corrections are needed since the mixing coefficients due to this interaction are small and practically constant. A weak discrepancy for eight energy levels of the (111) state is found and assigned to a Coriolis interaction with the (040) state. The corresponding parameter C001 value is equal to 1.09 10−3 cm−1. The isotopic composition of the elements used for the calculation of the natural isotopic abundance is taken from [2007Coh]. |
Abbreviation | SE: Statistical error. |
<111|H|012> | <111|H|210> | ||||
---|---|---|---|---|---|
Parameter | Value | SE | Value | SE | |
C 001 | × 10 | −3.35 | 3.3 | ||
C 011 | × 102 | −1.76072 | 0.00041 | −1.4159 | 0.0021 |
C 021 | × 105 | −6.41 | 0.14 | ||
C 201 | × 106 | 2.257 | 0.024 | ||
C 031 | × 106 | 6.926 | 0.029 | ||
C 211 | × 107 | −2.153 | 0.068 |
Symbols and abbreviations
Short form | Full form |
---|---|
C y , C yz | Coriolis coupling parameter |
SE | Statistical error |
References
Mikhailenko, S., Barbe, A., Plateaux, J.J., and Tyuterev, V.G.: New Analysis of 2ν1 + ν2, ν1 + ν2 + ν3, and ν2 + 2ν3 Bands of Ozone in the 2600–2900 cm−1 Region. J. Mol. Spectrosc. 196 (1999) 93−101.
Cohen, E.R., Cvitaš, T., Frey, J.G., Holmström, B., Kuchitsu, K., Marquardt, R., Mills, I., Pavese, F., Quack, M., Stohner, J., Strauss, H.L., Takami, M., Thor, A.J.: Quantities, Units and Symbols in Physical Chemistry. The IUPAC Green Book, 3rd Ed., Cambridge: RSC Publishing, 2007.
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Guelachvili, G., Picqué, N. (2019). 16O3 Coriolis and Darling-Dennison Coupling Parameters for the Interacting Triad {(012), (210), (111)} and Dark (040) Vibrational States. In: Guelachvili, G. (eds) Molecular Constants Mostly from Infrared Spectroscopy. Molecules and Radicals, vol 20C2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-57960-2_17
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DOI: https://doi.org/10.1007/978-3-662-57960-2_17
Publisher Name: Springer, Berlin, Heidelberg
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