Isomerization of 2-phospha-4-silabicyclo[1.10]butane

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In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically preferred product, in contrast to the isomerism of the hydrocarbons that favors the 1,3-butadiene structure.
Original languageEnglish
Pages (from-to)803-807
Number of pages4
JournalPhosphorus, Sulfur and Silicon and the Related Elements
Publication statusPublished - 2004


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