Collect. Czech. Chem. Commun. 1979, 44, 873-883

Contribution to study of π-electronic effects in monosubstituted benzenes

Ivan Danihela and Josef Kuthanb

a Department of Organic Chemistry, Šafárik University, 041 67 Košice
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6


π-Electronic densities in a series of monosubstituted benzenes I calculated by the PPP method are discussed in relation to the substitution effect of substituent X, to σR0 or σ parameters and to chemical shifts in NMR spectra. π-Electronic characteristics of the compounds I are confronted with electronic and photoelectronic spectra.