Abstract
Information on the vibrational energy states in acetylene (12C2H2, C212D2, and C213H2) 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 Bv for states of C212H2, C212D2, and C213H2 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 re(CH)=106.138(35) pm and re(CC)=120.292(13) pm from constants available for C212H2, C212D2, C213H2, and C212HD.
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