Application of a modified Z-COSY experiment for the analysis of spectra of oriented molecules - the spectrum of cis, cis-mucanonitrile

Abstract

NMR spectra of cis,cis-mucanonitrile oriented in a liquid crystal have been analysed using the connectivity information obtained from a modified Z-COSY experiment which provided crucial clues for the starting parameters for the iterative analysis. The proton spectra with and without ¹³C satellites and the ¹³C spectra have thus been interpreted. The indirect spin-spin couplings required for the analyses have been obtained from the corresponding isotropic spectra. The ¹H-¹H and ¹³C-¹H dipolar couplings so obtained have been utilized to determine the relative internuclear distances. The results indicate that the molecule is planar.