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Determination of the rα structure corrected for correlated deformation and of the bond contributions to the degree of order of 1,3-butadiene by NMR of the partially oriented molecule

Research paper by R. Wasser, P. Diehl

Indexed on: 01 Mar '90Published on: 01 Mar '90Published in: Structural Chemistry



Abstract

Protons with13C-satellite spectra from 1,3-butadiene dissolved in four different liquid-crystal solvents have been analyzed. The observed direct couplings, corrected for harmonic vibration as well as for correlated deformation, show that the trans isomer is dominant but that there must be a low concentration (2%) of a second rotamer, probably close to cis. The structure of the trans isomer is determined and the bond contributions to the order tensor are measured.