Remarkable carbene-induced transformation of 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene, P3C3But3, to the 1,2,4-triphosphole, P3C2But2CBut(carbene). Crystal and molecular structure of the planar triphosphole complex [Mo(CO)3(η5-P3C2But 2CBut(carbene))] [carbene = C(N(Me)C(Me)=C(Me)N(Me))]Electronic Supplementary information (ESI) available: spectroscopic data for 3 and 4, B3LYP/6-31+G* level generated structure of 3, and reaction of 3 with [PtCl2(PR3)]2. See http://www.rsc.org/suppdata/cc/b0/b001285h/

Abstract

Treatment of 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene, P₃C₃Bu^t₃, with the stable carbene 1,3,4,5-tetramethylimidazol-2-ylidene affords the planar 1,2,4-triphosphole, P₃C₂Bu^t₂CBu^t(carben e), [carbene = C(N(Me)C(Me)C(Me)N(Me))] which has been structurally characterised as its η⁵- ligated [Mo(CO)₃] complex; theoretical calculations are presented on the mechanism of this novel reaction.