APPLICATION OF A MODIFIED Z-COSY EXPERIMENT FOR THE ANALYSIS OF SPECTRA OF ORIENTED MOLECULES - THE SPECTRUM OF CIS,CIS-MUCANONITRILE

NMR spectra of cis,cis-mucanonitrile oriented in a liquid crystal have been analysed using the connectivity information obtained from a modi fied Z-COSY experiment which provided crucial clues for the starting p arameters for the iterative analysis. The proton spectra with and with out C-13 satellites and the C-13 spectra have thus been interpreted. T he indirect spin-spin couplings required for the analyses have been ob tained from the corresponding isotropic spectra. The H-1-H-1 and C-13- H-1 dipolar couplings so obtained have been utilized to determine the relative internuclear distances. The results indicate that the molecul e is planar. (C) 1994 Academic Press, Inc.