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Iminophosphanes as pseudocarbenes: A theoretical study of product formation

✍ Scribed by Wolfgang W. Schoeller; Thilo Busch; Jürgen Niemann; Thomas Dabisch; W.-D. Stohrer

Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
409 KB
Volume
2
Category
Article
ISSN
1042-7163

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✦ Synopsis

P(III) double bond systems possess two closely spaced frontier orbitals, a rr-orbital and a a-orbital. I n the parent iminophosphane the orbital sequence is a (HOMO) and n* (LUMO). Thus, it is isolobal to a singlet carbene and undergoes self-dimerization via a

[2 + 1 ] cycloaddition. The resulting three membered ring system can be considered as a complex of two iminophosphanes. Contrary to the classical cyclopropanation reaction, in the pseudo-carbene iminophosphane the corresponding [2 + 11 reaction is only slightly exothermic, as established by ab initio calculations at the SCFICEPA-1 and the MCSCFIACPF level.

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