Microwave spectrum, dipole moment, and dynamic structure of the ‘‘linear’’ HCCH–CO dimer

Germann, T. C.; Tschopp, S. L.; Gutowsky, H. S.
August 1992
Journal of Chemical Physics;8/1/1992, Vol. 97 Issue 3, p1619
Academic Journal
Rotational spectra have been observed for several 13C/18O isotopic species of the pseudolinear acetylene–carbon monoxide dimer using the pulsed, Fourier transform Balle/Flygare microwave spectrometer. A quadrature detection system has been incorporated in the data processing system to avoid folding of the spectrum onto itself in taking the Fourier transform. Dipole moments of 0.3112(12) and 3.29(3) D were determined for the parent HCCH–CO species and for HCN–HCCH, respectively. Structural properties were derived from the various measurements, including a well depth of 300 cm-1 from DJ, and the results are compared with those reported earlier for HCN–HCCH. A substitution analysis is developed in which the rotational properties of a pseudolinear dimer are treated as a symmetric top. A simple method is described for determining effects of the off-axis bending of the monomers.


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