Vibration–rotation spectroscopic database on acetylene, X ˜ 1 Σ g + (12C2H2)
(2016) Journal of Physical and Chemical Reference Data — Vol. 45, n° 2, p. 23103 (2016)
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- Abstract
- A complete set of calculated vibration-rotation energies of 12C2H2 (X1Σg +) is provided for all vibrational states up to 13 000 cm-1 and some at higher energies, with rotational (J) and vibrational angular momentum (l) quantum numbers such that 0 ≤ J ≤ 100 and 0 ≤ |l| ≤ 20, respectively. The calculation is performed using a global effective Hamiltonian and related spectroscopic constants from the literature [B. Amyay et al., J. Mol. Spectrosc. 267, 80 (2011)], based on the polyad model. The numerical values of all related polyad matrix elements are also provided. The model and equations for the Hamiltonian matrix elements are gathered. The experimental acetylene database used for determining the parameters is listed.
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Amyay, B., Fayt, A., Herman, M., & Vander Auwera, J. (2016). Vibration–rotation spectroscopic database on acetylene, X ˜ 1 Σ g + (12C2H2). Journal of Physical and Chemical Reference Data, 45(2), 23103. https://doi.org/10.1063/1.4947297 (Original work published 2016)