First high-resolution analysis of the nu15, nu12, nu5, nu10 and nu2 bands of oxirane

Published

January 15, 2012

Author(s)

Walter J. Lafferty, Jean-Marie Flaud, F. Kwabia Tchana, A. Perrin

Abstract

Fourier transform spectra of Oxirane (ethylene oxide, c-C2H4O) have been recorded in the 730 cm-1 to 1560 cm-1 (6.4 to 13.7 µm) spectral region using a Bruker IFS125HR spectrometer at a resolution of 0.0019 cm-1. A total of six vibration bands, ν15, ν12, ν5, ν3, ν10 and ν2 have been observed and analysed. The corresponding upper state ro-vibrational levels were fit using Hamiltonian matrices accounting for various interactions. Satisfactory fits were obtained using the following polyads {151, 121, 51} and {101, 21} of interacting states. As a result, an accurate and extended set of Hamiltonian constants were obtained. The following band centers were derived: ν0 (ν15) = 808.13462(30) cm-1, ν0 (ν12) = 822.27865(20) cm-1, ν0 (ν5) =876.72483(10), ν0 (ν3) = 1270.37032(10) cm-1, ν0 (ν10) = 1471.35580(50) cm-1 and ν0 (ν2) = 1497.83309(15) cm-1.

Citation

Journal of Molecular Spectroscopy

Volume

271

Issue

1

Pub Type

Journals

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DOI Link

Keywords

ethylene oxide, oxirane, high-resolution IR, molecular constants, ro-vibration resonances

Citation

Lafferty, W. , Flaud, J. , Kwabia, F. and Perrin, A. (2012), First high-resolution analysis of the nu15, nu12, nu5, nu10 and nu2 bands of oxirane, Journal of Molecular Spectroscopy, [online], https://doi.org/10.1016/j.jms.2011.11.005 (Accessed September 16, 2024)