Vibrational spectroscopic database on acetylene, (X)over-tilde 1Σg+ (12C2H2, 12C2D2, and 13C2H2)

Information on the vibrational energy states in acetylene ((C2H2)-C-12, (C2D2)-C-12, and (C2H2)-C-13) is gathered: spectroscopic constants (vibrational frequencies and anharmonicities, vibration-rotation interaction parameters), observed vibrational energy states and complete sets of predicted -vibrational energies and predicted principal rotational constants B-upsilon for states of (C2H2)-C-12, (C2D2)-C-12,and (C2H2)-C-13 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 provided for the three isotopomers. The equilibrium geometrical structure is determined to be r(e)(CH) = 106.138(35) pm and r(e)(CC) = 120.292(13) pm from constants available for (C2H2)-C-12, (C2D2)-C-12, (C2H2)-C-13, and (C2HD)-C-12. (C) 2003 American Institute of Physics.