Abstract
A pre-reactive complex formed by oxirane and ClF was characterised through the ground-state rotational spectra of the isotopomers (CH 2) 2O… 35ClF and (CH 2) 2O… 37ClF. The complex has C s symmetry, with the O…ClF nuclei confined to the symmetry ( ac) plane. Determination of the complete Cl nuclear quadrupole coupling tensor χ aa , χ bb - χ cc and χ ac led to the equilibrium angle α az between the ClF axis ( z) and the a-axis directions. By fitting the observed rotational constants A 0, B 0 and C 0 under the assumption of unchanged monomer geometries and with α az fixe the geometrical parameters r( O…Cl) = 2.437(2) A ̊ , f = 112.7(1)° and the deviation θ = 2.91(3)° from collinearity of the O…ClF nuclei were established.
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