Microwave Spectrum of Methyl Hypochlorite

Abstract

The microwave spectra of the normal species and some isotopically substituted species of methyl hypochlorite (CH3OCl) have been investigated in the frequency region 9 000–38 000 Mc/sec. Analysis of the results indicates the following structural parameters: d(CH)av=1.099 Å, <HCHav=109.4°, d(OCl) = 1.674 Å, d(OC) = 1.389 Å, and <COCl=112.8°. The quadrupole coupling constants for CH3O35Cl are eQq=—84.34 Mc/sec and η=0.408. The coupling constants for CD3OCl and the structural data indicate that the quadrupole tensor is probably cylindrically symmetric. The barrier to internal rotation calculated from splittings in the vtorsion = 1 state for CH3O35Cl is 3060±150 cal/mole.