Theoretical and Experimental Chemistry

, Volume 21, Issue 2, pp 215–219 | Cite as

Electronic structure and spectral-luminescent properties of 1,2,4,6-tetrasubstituted pyridinium salts

  • A. F. Korunova
  • I. P. Krainov
  • E. G. Protsenko


The structure of the electronic excitation of 1,2,4,6-tetrasubstituted pyridinium salts was studied by quantum-chemical calculations carried out by the SCF PPP CI method, using excitation-localization numbers on the atoms and fragments, and in-terfragmentary charge transfer numbers. The nature of the absorption bands observed in the spectra and certain structural factors causing the spectral-luminescent properties were established.


Absorption Band Pyridinium Charge Transfer Structural Factor Electronic Excitation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Literature cited

  1. 1.
    B. G. Distanov, A. I. Mitichkin, I. P. Krainov, et al., “Electrochromic composition,” Inventor's Certificate No. 401293, Byull. Izobret., No. 38 (1978).Google Scholar
  2. 2.
    E. G. Protsenko, V. G. Tishchenko, and B. G. Distanov, “Luminescence of 2,4,6-trisubstituted pyrylium and pyridinium perchlorates,” in: Oscillators and Organic Luminographs [in Russian], Kharkov (1972), pp. 117–119.Google Scholar
  3. 3.
    A. Camerman, L. Tensen, and A. Balaban, “The molecular structure of N-phenyl-2,4,6-trimethylpyridinium perchlorate,” Acta Crystallogr.,1325, No. 12, 2623–2630 (1969).Google Scholar
  4. 4.
    A. F. Korunova, I. P. Krainov, S. S. Lotochimskaya, and E. G. Protsenko, “Relationship between structure and nature of lower excited states of cations of substituted pyridinium salts,” in: XIIth Ukrainian Republican Conference on Physical Chemistry. Summaries of Lectures, October, 1977 [in Russian], Naukova Dumka, Kiev (1977), p. 216.Google Scholar
  5. 5.
    S. M. Aldoshin, Ya. R. Tymyanskii, O. A. Dyachenko, et al., “Spectral-luminescent properties and structure of 1-hydroxyphenyl-substituted derivatives of 1,2,6-triphenylpyridinium,” Izv. Akad. Nauk SSSR, Ser. Khim., No. 10, 2270–2279 (1981).Google Scholar
  6. 6.
    K. Nishimoto, K. Nakatsukasa, and R. Fujushiro, “Electronic structure and spectra of protonated N-heterocycles,” Theor. Chita. Acta,14, No. 1, 80–90 (1969).Google Scholar
  7. 7.
    A. V. Luzanov, “Structure of electronic excitation of molecules in quantum-chemical models,” Usp. Khim.,49, No. 11, 2086–2117 (1980).Google Scholar
  8. 8.
    A. V. Luzanov and V. E. Umanskii, “Simultaneous calculation of perturbation and lower excited states of molecules,” Opt. Spektrosk.,40, No. 1, 201–203 (1976).Google Scholar
  9. 9.
    W. Liptay, “Influence of solvent on wave numbers of optical absorption and transmittance,” in: Modern Quantum Chemistry [Russian translation], Vol. 2, Mir, Moscow (1968), pp. 179–181.Google Scholar

Copyright information

© Plenum Publishing Corporation 1985

Authors and Affiliations

  • A. F. Korunova
    • 1
  • I. P. Krainov
    • 1
  • E. G. Protsenko
    • 1
  1. 1.Kharkov Polytechnical InstituteScientific-Production Association “Monokristallreaktiv”USSR

Personalised recommendations