Knowledge Bank

We have gathered information on the vibrational energy states in the ground electronic state of three isotopomers of acetylene $(12C2H2,12C2D2,13C2H2)$: 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 $Bv$ for states of $\mathrm{<mrow\; data-mjx-texclass="ORD">12</mrow>}C2H2,12C2D2$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">13</mrow>}C2H2$ up to 15000, 10000 and $12000cm-1$ respectively. Statistical parameters (partition functions and integrated number of states) deduced from these predicted spectroscopic data are also provided for the three isotopomers.