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The rα-structures of partially oriented 1,2,4,5-and 1,2,3,4-tetrachlorobenzene determined from their proton magnetic resonance spectra with natural abundance 13C-satellites

✍ Scribed by P. Diehl; G. Dombi; H. Boesiger

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
413 KB
Volume
14
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

By recording two spectra of the same molecule in different nematic liquid crystals, and analysing the data simultaneously, information has been obtained on the molecular structures of 1,2,4,5‐ (1) and 1,2,3,4‐tetrachlorobenzene (2). Carbon–hydrogen and carbon–carbon internuclear distance ratios, as well as bond lengths and bond angles, were computed and corrected for harmonic vibrations. Only part of the molecular structure of 2 could be derived with reasonable precision; the reasons for this limitation are discussed. The spectra of the two isomers were also analysed in isotropic solvents in order to determine the indirect coupling constants. One‐ and two‐bond ^13^C isotope effects on the chemical shifts of the protons were observed. The solvent effects of the different nematic liquid crystals on the structure were found to be small compared with the experimental error.

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