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Investigation of Thiaborane closo- nido Conversion Pathways Promoted by N-Heterocyclic Carbenes

. 2019 Feb 18 ; 58 (4) : 2471-2482. [epub] 20190207

Status PubMed-not-MEDLINE Language English Country United States Media print-electronic

Document type Journal Article

The 12-X- closo-SB11H10 (X = H or I) thiaboranes react with one or two molar equivalents of various N-heterocyclic carbenes (NHCs) to give the deprotonated 12-vertex species of [12-X-SB11H9·NHC]-[NHC-H]+composition as kinetic products. The use of one molar equivalent of a sterically more hindered NHC reactant leads to the formation of 12-X-SB11H10·NHC adducts with a heavily distorted cage and the nido electron count. Further reaction of 12-I-SB11H10·NHC to deboronated 12-X-SB10H9·NHC proceeds in acetone to complete the closo- nido reaction pathway under the thermodynamic control. The structures of all compounds have been investigated by NMR spectroscopy and diffraction techniques. The results are supported by theoretical methods.

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