Fulvene,VII. Analyse der 13C- und 1H-NMR.-Spektren

Carbon-13 and proton NMR. spectra of pentafulvene and of a series of 6-substituted fulvenes have been analysed and assigned by homo- and heteronuclear double resonance and with the aid of iterative computation. ¹³C and ¹H chemical shifts are interpreted in terms of substituent effects and compared with π-electron charges calculated for the unsubstituted fulvene. From ¹³C shifts a 10 percent contribution of dipolar structures to the electronic configuration of fulvene may be estimated. All long-range proton-proton coupling constants including relative signs and some proton-carbon couplings in the fulvene spin system have been determined and assigned.