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- W2061784912 abstract "Abstract The spin density distributions in heterocyclic quinones like imidazo-p-benzoquinone, 2,3-dimethyl-5,8-quinoxalinedione, 2,3-diphenyl-5,8-quinoxalinedione and 5,8-isoquinolinedione have been calculated, employing molecular orbital theories and are compared with the electron spin resonance results obtained with their anion radicals. The total width of the spectrum of the quinone is smaller than that of their corresponding non-quinonoid system due to localization of the spin density in the quinonoid ring. In the case of 2,3-dimethyl-5,8-quinoxalinedione both inductive and inductive hyperconjugative models were considered and the results are in good agreement with the experimental results. The nitrogen coupling constants in all the quinones are best correlated through Karplus and Fraenkel expression α N =Q N NNϱN +Q N CC (ϱ c 1 +ϱ c 2 ) That the applicability of the above equation to a case where (ϱc1 + ϱc2) is higher compared to ϱN is illustrated by 5,8-isoquinolinedione." @default.
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- W2061784912 date "1973-02-01" @default.
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- W2061784912 title "Spin density distributions in heterocyclic quinones: An ESR study" @default.
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- W2061784912 doi "https://doi.org/10.1016/0022-2364(73)90038-3" @default.
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