Quantumchemical structure of carcinogenic benz[c]acridines

T. Kurihara, H. Sakagami, J. Molnar, N. Motohashi

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Abstract

Resonance energies, circuit resonance energies and bond currents of benz[c]acridines were calculated by Aihara's TRE theory. Consequently, it was shown that these compounds had very stable aromatic characters with positive resonance energies and that the resonance energies per π-electron values for the compounds with lack of the double bond corresponding to the K-region from patent skeleton were more stable than those of their parent compounds. Carcinogenic activity of the compounds was related to the charge at QK, QN and QL and high electron density on HOMO orbital.

Original languageEnglish
Pages (from-to)1811-1822
Number of pages12
JournalAnticancer research
Volume14
Issue number5 A
Publication statusPublished - Dec 1 1994

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Keywords

  • Benz[c]acridines
  • MNDO
  • π-electron density of K,L,M-regions

ASJC Scopus subject areas

  • Oncology
  • Cancer Research

Cite this

Kurihara, T., Sakagami, H., Molnar, J., & Motohashi, N. (1994). Quantumchemical structure of carcinogenic benz[c]acridines. Anticancer research, 14(5 A), 1811-1822.