VIBRATIONAL SPECTROSCOPIC DATABASE ON ACETYLENE $\tilde{X}^{1\Sigma^{+}_{g}} (^{12}C_{2}H_{2}, ^{12}C_{2}D_{2}, ^{13}C_{2}H_{2})$
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Date
2002
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Publisher
Ohio State University
Abstract
We have gathered information on the vibrational energy states in the ground electronic state of three isotopomers of acetylene $(^{12}C_{2}H_{2}, ^{12}C_{2}D_{2}, ^{13}C_{2}H_{2})$: spectroscopic constants (vibrational frequencies and anharmonicities, geometrical structure, vibration-rotation interaction parameters), observed vibrational energy states and complete sets of predicted vibrational energies and predicted principal rotational constants $B_{v}$ for states of $^{12}C_{2}H_{2}, ^{12}C_{2}D_{2}$ and $^{13}C_{2}H_{2}$ up to 15000, 10000 and $12000 cm^{-1}$ respectively. Statistical parameters (partition functions and integrated number of states) deduced from these predicted spectroscopic data are also provided for the three isotopomers.
Description
Author Institution: Laboratoire de Chimie Physique Mol\'{e}culaire C. P. 160/09, Universit\'{e} Libre de Bruxelles; Laboratoire de spectrom\'{e}trie Physique (CNRS, UMR C5588), Universit\'{e} Joseph Fourier de Grenoble