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The  1 H NMR spectrum of cyclopenta-1,3-diene partielly oriented in a nematic phase was recorded and analysed. A proton geometry characterised by the following H,H distance ratios was determined: r 12 /r 23  = 0.954 ± 0.007, r 13 /r 23  = 1.596 ± 0.004, r 25 /r 23  = 1.476 ± 0.009, r 14 /r 23  = 1.638 ± 0.005, r 15 /r 23  = 0.990 ± 0.001, and r 55 ,/r 23  = 0.653 ± 0.002. The molecule is found to be planar. CC bond lengths and bond angles were calculated on the basis of the proton geometry using molecular mechanics. Evidence for a possible influence of ring bending on the NMR results is discussed.

zeitschrift für naturforschung b

Strukturbestimmungen an kleinen Molekülen, III / Das  1 H-NMR-Spektrum von partiell orientiertem Cyclopentadien / Structure Determinations for Small Molecules, III.: The  1 H NMR Spectrum of Partielly Oriented Cyclopentadiene