Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane

J. Chris Slootweg, Andreas W. Ehlers, Koop Lammertsma

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


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 pages5
JournalPhosphorus, Sulfur and Silicon and the Related Elements
Issue number4-5
Publication statusPublished - Apr 2004
Externally publishedYes


  • DFT calculations
  • Isomerism
  • Phosphasilabicyclobutane

ASJC Scopus subject areas

  • Biochemistry
  • Organic Chemistry
  • Inorganic Chemistry


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