Abstract
Photoelectron (PE) spectra of 20 biologically active molecules of 1,4-benzodiazepine derivatives have been measured. The spectra in the range of low ionization energies (IE) were interpreted by comparison of MNDO quantum-chemical calculation data with the perturbation theory estimations. The effect of substituents and structural changes in the series studied is felt mainly by the π-MOs of ring A; theortho effect is observed in the PE spectra ofortho isomers.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1583–1587, September, 1993.
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Zykov, B.G., Khvostenko, O.G., Khvostenko, V.I. et al. Photoelectron spectra of 1,4-benzodiazepines. Russ Chem Bull 42, 1517–1521 (1993). https://doi.org/10.1007/BF00699186
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DOI: https://doi.org/10.1007/BF00699186