Abstract
Using a Hückel approach in conjunction with the LCAO MO method, calculations are made of π-electron configurations for a number of N- and C-phenyl derivatives of 5-membered nitrogen heterocyclic rings. Using these results, interaction effects between phenyl and heterocyclic ring systems are considered, as well as UV spectra, dipole moments, and reactivities of the compounds investigated.
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Minkin, V.I., Pozharskii, S.F. & Ostroumov, Y.A. Application of the method of molecular orbitals to investigating the effects of conjugation between phenyl and 5-membered N-heteroatom rings. Chem Heterocycl Compd 2, 413–420 (1967). https://doi.org/10.1007/BF00509434
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DOI: https://doi.org/10.1007/BF00509434