M. Onda, Masahiko Atsuki, Junko Yamaguchi
May 25, 1993
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Journal
Journal of Molecular Structure
Abstract
Abstract The microwave spectra of 1,3-dichlorobenzenes (35Cl2 and 35Cl37Cl) and their six monodeuterated species have been observed and analyzed in the frequency range 10–40 GHz. The r0 structure of the molecule has been calculated by means of an elaborate least-squares procedure. The determined r0 bond lengths (in pm) and bond angles (in degrees) are as follows: rCC = 138.9–139.5, rCH = 108.3–110.8, rCCl = 172.7(35), ∠ CCC 118.9–121.0, ∠ Cl(7)C(1)C(2) = 119.2(36), ∠C(3)C(4)H(10) = 118.4(44). The following distortions in the structure have been found: the distortion of the benzene ring is of the same extent as in chlorobenzene (CCC angles are 119.4–120.7°) and ortho-hydrogen H(10) is located close to the chlorine atom.