Determination of anharmonicity constants from the Raman spectrum of gaseous acetylene

From an analysis of the photoelectrically recorded Raman band of acetylene at 3950 cm−1, which contains contributions from ν1+ν4 and its hot bands, ν3+ν5 in Fermi resonance with ν2+ν4+2ν5, and the Q‐branch of 2ν2, some anharmonicity constants were determined. In particular x22= −7.4 cm−1 was obtaine...

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Veröffentlicht in:Journal of Raman spectroscopy 1981-10, Vol.11 (5), p.375-383
Hauptverfasser: Finsterhölzl, H., Schrötter, H. W., Strey, G.
Format: Artikel
Sprache:eng
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Zusammenfassung:From an analysis of the photoelectrically recorded Raman band of acetylene at 3950 cm−1, which contains contributions from ν1+ν4 and its hot bands, ν3+ν5 in Fermi resonance with ν2+ν4+2ν5, and the Q‐branch of 2ν2, some anharmonicity constants were determined. In particular x22= −7.4 cm−1 was obtained directly for the first time, other constants are revised due to a more complete consideration of the resonance perturbations. A computer simulation of the ν4 fundamental and the ν1+ν4 combination band shows excellent agreement with the experimental spectra.
ISSN:0377-0486
1097-4555
DOI:10.1002/jrs.1250110516