Determination of the structure of benzonitrile by nuclear magnetic resonance : Analysis of ¹H and ¹³C spectra of benzonitrile dissolved in isotropic and nematic phase

Abstract

The ¹H- and ¹³C-N.M.R. spectra in isotropic solution have been obtained for benzonitrile and mono ¹³C benzonitriles. The spectra have been analysed to yield values of chemical shift, H,H and ¹³C,H coupling constants. ¹H N.M.R. spectra of benzonitrile and enriched ¹³C species of benzonitrile have also been obtained in the nematic phase. From the dipole-dipole coupling constants a molecular structure has been deduced and compared to the microwave substitution structure previously known. The sources of deviations between the results from various methods of structural determination are discussed.

This paper reports part of the work submitted by one of the authors (J.P.J.) and awarded the University of Copenhagen gold medal, 1973.

This paper reports part of the work submitted by one of the authors (J.P.J.) and awarded the University of Copenhagen gold medal, 1973.

Notes

This paper reports part of the work submitted by one of the authors (J.P.J.) and awarded the University of Copenhagen gold medal, 1973.