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Abstract
The molecular structure of pentacyclo [4.2.0.0 2,5 .0 3,8 .0 4,7 ] octane (cubane) has been determined in the gas phase at a temperature of 77°C. Parameter values were obtained from four types of refinements: those based on electron-diffraction (ED) data alone, ED data with inclusion of a microwave (MW) rotational constant for cubane-d 0 available from the literature, ED data with allowance for single-double multiple scattering (MS) effects, and the ED-MW data with allowance for MS effects. A complete quadratic vibrational force field was also evaluated
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