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Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals

J. N. Herak ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia

Puni tekst: engleski, pdf (7 MB) str. 31-36 preuzimanja: 43* citiraj
APA 6th Edition
Herak, J.N. (1969). Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals. Croatica Chemica Acta, 41 (1), 31-36. Preuzeto s https://hrcak.srce.hr/207971
MLA 8th Edition
Herak, J. N.. "Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals." Croatica Chemica Acta, vol. 41, br. 1, 1969, str. 31-36. https://hrcak.srce.hr/207971. Citirano 05.03.2021.
Chicago 17th Edition
Herak, J. N.. "Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals." Croatica Chemica Acta 41, br. 1 (1969): 31-36. https://hrcak.srce.hr/207971
Harvard
Herak, J.N. (1969). 'Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals', Croatica Chemica Acta, 41(1), str. 31-36. Preuzeto s: https://hrcak.srce.hr/207971 (Datum pristupa: 05.03.2021.)
Vancouver
Herak JN. Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals. Croatica Chemica Acta [Internet]. 1969 [pristupljeno 05.03.2021.];41(1):31-36. Dostupno na: https://hrcak.srce.hr/207971
IEEE
J.N. Herak, "Theoretical Study of Methylene Proton Coupling in Some Pyrimidine Radicals", Croatica Chemica Acta, vol.41, br. 1, str. 31-36, 1969. [Online]. Dostupno na: https://hrcak.srce.hr/207971. [Citirano: 05.03.2021.]

Sažetak
The methylene proton couplings with the unpaired electron
have been calculated for a number of pyrimidine radicals. The molecular
orbital calculations were performed in the Hi.ickel and
McLachlan approximations. The methylene group has been treated
both, directly as a member of the conjugated ring (»hyperconjugation
«) and as a perturbation of the parent molecule. Both procedures
give satisfactory agreement with the experimental results,
better in the Hi.ickel than McLachlan approximation. Complete
dissagreement has been found only for the ·5-acetyl uracil radical.
It is possible that in this case the measurements and the calculations
do not refer to the same molecular structure.

Hrčak ID: 207971

URI
https://hrcak.srce.hr/207971

Posjeta: 86 *