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SCF CI PPP Study of the Electronic Structure of Isomeric Pyridodiazaphenanthrenes

W. Śliwa and M. Mielniczak

Institute of Chemistry, Pedagogical University, Cze.stochowa, Poland

 

Abstract: For three isomeric pyridodiazaphenanthrenes the molecular diagrams, wavenumber, oscillator strength, and dipole moment values have been calculated by the SCF CI PPP method.The theoretical oscillator strength and wavenumber values were compared with the experimental UV data; also comparison of UV spectra of studied compounds with those of parent diazaphenanthrenes has been made. Good correlations of plots of calculated and experimental wavenumber values of studied compounds have been found.

Full paper in Portable Document Format: 526a747.pdf

 

Chemical Papers 52 (6) 747–752 (1998)

Monday, May 23, 2022

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