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A conformational study of butadiene and of its homologues by NMR spectroscopy

1969; Elsevier BV; Volume: 32; Issue: 2 Linguagem: Inglês

10.1016/0022-2852(69)90224-0

1096-083X

Anna Laura Segre, Lucia Zetta, A. Di Corato,

Molecular Spectroscopy and Structure

The NMR spectra of butadiene, of cis and trans pentadienes and of cis- and tran-t-butyl-butadienes were studied. The value of the coupling constant Js-vicinal varies with the temperature in butadiene and in its trans derivatives; it remains constant in the cis compounds. These results seem to indicate that in butadiene and in its trans-derivatives there is an equilibrium between a predominantly populated s-trans-conformation and a skewed conformation with the two double bonds not in the same plane.