Alex Lubnin - 13C NMR Spectra of Linear Trimers of Buta-1,3-diene Obtained from the Ziegler-Natta Process

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      Publication Details (including relevant citation   information):

      Magnetic Resonance in Chemistry, Vol. 30, No. 9, pp. 847-849   (1992)


    Titanium-based Ziegler-Natta catalysts for the polymn. of buta-1,3-diene give linear trimers of butadiene among other byproducts.  A combination of 1H and 13C NMR, DEPT and 2D-INADEQUATE gave exhaustive assignments of the 13C NMR spectra and afforded structures.  All these trimers are dodeca-2,4,6,10-tetraenes which have an isolated cis double bond.  The internal double bond of the conjugated triad has a trans configuration in each isomer, and the trimers differ only in the outer double bonds.  The 13C NMR spectra of the trimers reveal that the signal position of the carbon involved in the conjugated double bond series is mainly controlled by the configuration of the adjacent double bond and, to a lesser extent, by the geometry of its own double bond.  The oligomers studied serve as models for polyacetylene.  Some reassignments in the spectra of oligomers of terminal acetylenes are proposed.

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