Molecular Structure of Ethyl Chloride

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Abstract
The microwave spectra of C13H3CH2Cl35, CH3C13H2Cl35, CH3CD2Cl35, and CH2DCH2Cl35 have been examined and rotational constants assigned. Both a-type and b-type spectra have been observed. From these spectra and those previously reported for CH3CH2Cl35, CH3CH2Cl37, and CH2DCH2Cl35 a complete structure has been obtained by means of the substitution method. The bond distances and bond angles obtained are as follows: CC = 1.520 A, CCl = 1.788 A, CH (methyl) = 1.091 A, CH (methylene) = 1.089 A, CCCl = 111°2′, HCH (methyl) = 108°30′, HCH (methylene) = 109°12′, CCH (methylene) = 111°36′. The quadrupole coupling parameters and barrier to internal rotation have been re-evaluated in terms of the above structure. The quadrupole coupling parameters are χbond = —68.80 Mc and ηbond = 0.035, if the angle between the a axis and the CCl bond is determined from the structure; or χbond = —71.24 Mc, if a cylindrical charge distribution is assumed near the chlorine nucleus. The barrier to internal rotation is 3685 cal/mole.