Photoelectron (PE) spectra of 20 biologically active molecules of 1,4-
benzodiazepine derivatives have been measured. The spectra in the rang
e of low ionization energies (IE) were interpreted by comparison of MN
DO quantum-chemical calculation data with the perturbation theory esti
mations. The effect of substituents and structural changes in the seri
es studied is felt mainly by the pi-MOs of ring A; the ortho effect is
observed in the PE spectra of ortho isomers.