P(O)H to P–OH Tautomerism: A Theoretical and Experimental Study
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https://figshare.com/articles/dataset/P_O_H_to_P_OH_Tautomerism_A_Theoretical_and_Experimental_Study/2120743
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资源简介:
Phosphinylidene compounds
R1R2P(O)H are important
functionalities in organophosphorus chemistry and display prototropic
tautomerism. Quantifying the tautomerization rate is paramount to
understanding these compounds’ tautomerization behavior, which
may impact their reactivities in various reactions. We report a combined
theoretical and experimental study of the initial tautomerization
rate of a range of phosphinylidene compounds. Initial tautomerization
rates are found to decrease in the order H3PO2 > Ph2P(O)H > (PhO)2P(O)H > PhP(O)
(OAlk)H
> AlkP(O)(OAlk)H ≈ (AlkO)2P(O)H, where “Alk”
denotes an alkyl substituent. The combination of computational investigations
with experimental validation establishes a quantitative measure for
the reactivity of various phosphorus compounds, as well as an accurate
predictive tool.
创建时间:
2016-02-12



