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Electrooxidation of Hypercoordinated Derivatives of Silicon and Reactivity of Their Electrogenerated Cation Radicals: 1-Substituted Silatranes.

Molecules · 2023 · PMC10386437 · PMID 37513433

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an interesting trendno p-value reported
Corroborating the nature of the decay of the CRs—the loss of H + —the experimental kinetics of disappearance of 1 +• , determined by the electrochemical methods, closely parallels (Brønsted plot, n = 4, R = 0.997, p = 0.00284) their thermodynamic acidity, obtained from B3PW91/6-311++G(d,p) (acetonitrile, C-PCM) quantum chemical calculations (Equation (9)): log (k) = 0.258 × p K a − 1.436 (9) Going through the p K a of silatranes 1 ( Table 3 ), an interesting trend can be observed, whereby whatever the substituent R, the proton in 1 +• is preferentially eliminated from β-carbon.

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