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.
|Number of pages||4|
|Journal||Phosphorus, Sulfur and Silicon and the Related Elements|
|Publication status||Published - 2004|