CONFORMATIONS, ENERGY AND SPECTRAL CHARACTERISTICS OF 2,3-TRIMETHYLENE- AND 2,3-PENTAMETHYLENE-3,4-DIHYDRO-4-QUINAZOLINONES
Keywords:
2,3-trimethylene- and 2,3-pentamethylene-3,4-dihydro-4-quinazolinones, IR spectral band integral intensity, quantum-chemical calculations, conformationAbstract
Quantum-chemical calculations and IR spectroscopy were used to study the conformations as well as the energy and spectral characteristics of 2,3-trimethylene- and 2,3-pentamethylene-3,4-dihydro-4-quinazolinones. The shift of π-electron density from the heterocyclic system to the carbonyl group and, thus, the proton affinity of the oxygen atom of this group increase with expansion of the bond angle at the nitrogen atom in going from a five-membered to seven-membered ring.
How to Cite
Kristallovich, E. L.; Eshimbetov, A. G.; Promyslov, V. M.; Chuvylkin, N. D.; Belen'kii, L. I.; Molchanov, L. V.; Shakhidoyatov, Kh. M. Chem. Heterocycl. Compd. 2003, 39, 1516. [Khim. Geterotsikl. Soedin. 2003, 1722.]
For this article in the English edition, see DOI 10.1023/B:COHC.0000014417.12922.48
