Abstract
The π-electron charges, bond orders, energies of the singlet and triplet electronic transitions, and the PMR spectrum of 4,9-diazapyrene were calculated by the self-consistent-field (SCF) method with allowance for the coulombic repulsion, and the results are compared with the experimentally found positions of the long-wave bands in the UV spectrum and the experimental PMR spectrum. 4,9-Diazapyrene hetarylates activated aromatic and heteroaromatic rings.
Similar content being viewed by others
Literature cited
A. K. Sheinkman and G. V. Samoilenko, Zh. Obshch. Khim.,43 (1974).
A. K. Sheinkman, Khim. Geterotsikl. Soedin., 3 (1974).
A. K. Sheinkman and A. P. Kucherenko, Khim. Geterotsikl. Soedin., 1432 (1973).
M. M. Mestechkin and V. N. Poltavets, Teor. i éksperim. Khim.,3, 695 (1967).
M. M. Mestechkin, L. S. Gutyrya, and V. N. Poltavets, Optika i Spektroskopiya,28, 454 (1970).
M. M. Mestechkin, L. S. Gutyrya, and V. N. Poltavets, Optika i Spektroskopiya,30, 1022 (1971).
N. Mataga, Z. Phys. Chem.,18, 285 (1958).
H. Klevens and J. Platt, Technical Report of the Laboratory of Molecular Structure and Spectra, Chicago (1954).
D. Evans, J. Chem. Soc., 3885 (1957).
R. McWeeny and T. Peacock, Proc. Phys.,A70, 41 (1957).
R. Brown and M. Heffernan, Austral. J. Chem.,12, 554 (1959).
W. Mosby, J. Org. Chem.,22, 671 (1957).
Yu. B. Vysotskii, Zh. Strukt. Khim.,15, 56 (1974).
J. H. S. Wang and W. H. Flygare, J. Chem. Phys.,52, 5636 (1970).
V. I. Minkin and V. A. Bren', Reakts. Sposobnost' Organ. Soedin.,4, 112 (1967).
J. Coetzee and G. Padmanabhan, J. Amer. Chem. Soc.,87, 5005 (1965).
F. Popp, Adv. Heterocycl. Chem., 19, 1 (1968).
Author information
Authors and Affiliations
Additional information
See [1] for communication XXVII.
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 537–541, April, 1974.
Rights and permissions
About this article
Cite this article
Sheinkman, A.K., Mestechkin, M.M., Kucherenko, A.P. et al. Reactions of cyclammonium cations. Chem Heterocycl Compd 10, 466–470 (1974). https://doi.org/10.1007/BF00945643
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00945643