Microwave Spectrum of Tertiary Butyl Chloride. A Comparison of Tertiary Butyl Structures

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Abstract
The rotational constants of (C12H3)3C12Cl35, (C12H3)3C12Cl37, (C12H3)3C13Cl35, (C12H3)3C13Cl37, and (C13H3) (C12H3)2C12Cl35 have been measured. The rs structure of the t‐butyl chloride skeleton calculated from these constants is: r(CCl) = 1.803±0.002 Å, r(CC) = 1.530±0.002 Å,∠CCC=110.9°±0.1°. The quadrupole coupling constant for Cl35 is −66.9±1.5 Mc. The structures of a number of t‐butyl compounds are compared. The t‐butyl group is practically unaffected by substitution, while the CX bond in (CH3)3CX is systematically longer than in CH3X molecules. Conventional concepts of valence theory do not provide a satisfying explanation for this behavior.