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Topological Resonance Energies of Thienopyrimidines

Albin Jurić ; Department of Chemistry, Agricultural Institute, 43 260 Križevci, Croatia
Sonja Nikolić ; Rugjer Bošković Institute, P.O.B. 1016, 10001 Zagreb, Croatia
Nenad Trinajstić ; Rugjer Bošković Institute, P.O.B. 1016, 10001 Zagreb, Croatia

Puni tekst: engleski, pdf (7 MB) str. 841-846 preuzimanja: 213* citiraj
APA 6th Edition
Jurić, A., Nikolić, S. i Trinajstić, N. (1997). Topological Resonance Energies of Thienopyrimidines. Croatica Chemica Acta, 70 (3), 841-846. Preuzeto s https://hrcak.srce.hr/135651
MLA 8th Edition
Jurić, Albin, et al. "Topological Resonance Energies of Thienopyrimidines." Croatica Chemica Acta, vol. 70, br. 3, 1997, str. 841-846. https://hrcak.srce.hr/135651. Citirano 28.02.2021.
Chicago 17th Edition
Jurić, Albin, Sonja Nikolić i Nenad Trinajstić. "Topological Resonance Energies of Thienopyrimidines." Croatica Chemica Acta 70, br. 3 (1997): 841-846. https://hrcak.srce.hr/135651
Harvard
Jurić, A., Nikolić, S., i Trinajstić, N. (1997). 'Topological Resonance Energies of Thienopyrimidines', Croatica Chemica Acta, 70(3), str. 841-846. Preuzeto s: https://hrcak.srce.hr/135651 (Datum pristupa: 28.02.2021.)
Vancouver
Jurić A, Nikolić S, Trinajstić N. Topological Resonance Energies of Thienopyrimidines. Croatica Chemica Acta [Internet]. 1997 [pristupljeno 28.02.2021.];70(3):841-846. Dostupno na: https://hrcak.srce.hr/135651
IEEE
A. Jurić, S. Nikolić i N. Trinajstić, "Topological Resonance Energies of Thienopyrimidines", Croatica Chemica Acta, vol.70, br. 3, str. 841-846, 1997. [Online]. Dostupno na: https://hrcak.srce.hr/135651. [Citirano: 28.02.2021.]

Sažetak
Topological resonance energies of isomeric thienopyrimidines are reported. They show all thienopyrimidines to be aromatic compounds, but thieno[3,4-d]pyrimidine to be by 20% less aromatic than thieno[2,3-d]pyrimidine and thieno[3,2-d]pyrimidine. This result is also in agreement with a simple resonance-theoretic argument according to which thieno[2,3-d]pyrimidine and thieno[3,2- d]pyrimidine should be more aromatic than thieno[3,4-d]pyrimid- ine because they possess two resonance structures while the latter isomer only one. The HOMO-LUMO energy separation indicates that thieno[3,4-d]pyrimidine should be more reactive than either of the two remaining isomeric thienopyrimidines. It is conjectured that, despite a relatively high aromaticity, thieno[3,4-d]pyrimidine was never isolated because it is a rather reactive compound.

Hrčak ID: 135651

URI
https://hrcak.srce.hr/135651

Posjeta: 329 *