Conclusions
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1.
It was shown within the framework of theπ-electronic approximation that in the energy spectrum of cyclopentadienyl macromolecules of type I there is a region corresponding to vacant bonding MO; in the energy spectrum of cycloheptatrienyl macromolecules of type I, there is a region corresponding to occupied antibonding MO.
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2.
The structure of the energy zones of macromolecules of type I and II is analogous to the structure of the zones of the metals.
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D. A, Bochvar, I. V. Stankevich, and A. V. Tutkevich, Izv. Akad. Nauk SSSR, Ser. Khim., 1186 (1969).
D. A. Bochvar and I. V. Stankevich, Zh. Strukt. Khimii,13, 1123 (1972).
A. T. Balaban, Rev. Roumaine Chim.,15, 1251 (1970).
D. A. Bochvar and E. G. Gal'pern, Izv. Akad. Nauk SSSR, Ser. Khim., 1327 (1972).
D. A. Bochvar and I. V. Stankevich, Zh. Strukt. Khimii,8, 943 (1967).
J. Slater, Electronic Structure of Molecules [Russian translation], Mir (1965).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 8, pp. 1713–1716, August, 1973.
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Bochvar, D.A., Gal'pern, E.G. & Stankevich, I.V. Energy spectra of certain condensed cyclopentadienyl and cycloheptatrienyl systems. Russ Chem Bull 22, 1667–1669 (1973). https://doi.org/10.1007/BF00932089
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DOI: https://doi.org/10.1007/BF00932089