A study of proton-proton coupling constants incis,cis-1,4-dialkyl-1,3-butadienes

Abstract

Reported herein are the results of iterative spectral analyses based on 100 MHz P.M.R. spectra of three cis,cis-1,4-dialkyl-1,3-butadienes. The couplings thus obtained are discussed in terms of finite perturbation theory calculations on various rotamers and distorted configurations of the butadiene framework. The results are discussed in terms of the proposals of Albriktsen et al. [5]. Partitioning into σ and π contributions is also considered.