Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1327461 | Journal of Organometallic Chemistry | 2005 | 7 Pages |
Abstract
The reaction of cyclic phosphine oxides (1) and dialkyl acetylenedicarboxylate giving the corresponding β-oxophosphorane/ylide (2) was studied by quantum chemical calculations. Relative energies of the transition states (6 and 7), intermediates (32) and possible products, such as oxophosphorane/ylide 2 or Diels Alder cycloadducts 5 were calculated for the potential pathways. Geometry of a few relevant species (2a*, 3a2â, 6 and 7) was also evaluated.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
György Keglevich, Tamás Körtvélyesi, Anikó Ujvári, Eszter Dudás,