Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction
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https://figshare.com/articles/dataset/Mechanisms_of_Stereomutation_and_Thermolysis_of_Spiro_1_2_oxaphosphetanes_New_Insights_into_the_Second_Step_of_the_Wittig_Reaction/2463883
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资源简介：
The experimentally observed stereomutation of spiro-1,2-oxaphosphetanes
is shown by DFT calculations to proceed through successive MB2 or MB4 and MB3 mechanisms involving two, four,
and three Berry pseudorotations at phosphorus, respectively. Oxaphosphetane
decomposition takes place in a single step via a polar transition
state. The calculated activation parameters for this reaction are
in good agreement with those determined experimentally.
创建时间：
2012-12-05
