A complete analysis of the proton coupled 13C spectrum of butadieneiron tricarbonyl is presented. The structure of the diene ligand is discussed on the basis of vicinal C,H and H,H coupling constants as well as 2J(HH), 1J(CH) and 1J(CC) data. These data are interpreted in terms of a non‐planar C,H skeleton in which C,C bond lengths are nearly equal and the terminal carbon atoms exhibit some rehybridization towards sp3. The results obtained from the complex in solution agree with a structural model from X‐ray data of substituted butadieneiron tricarbonyl complexes.
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Bachmann et al. (1976) studied this question.
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