AI Article Synopsis
- The study investigates the reaction of cyclic (alkyl)(amino)carbene (CAAC) with tetrabromodiborane, resulting in the formation of a CAAC-stabilized linear diboracumulene, denoted as (CAAC)2B2.
- The CAAC ligand's ability to donate π-electron density to the B2 unit leads to structural differences compared to another complex, specifically a longer B-B bond and shorter B-C bonds.
- Frontier orbital analysis, supported by natural population analysis and cyclic voltammetry, indicates that the valence electrons are delocalized across the entire linear C-B-B-C structure in (CAAC)2B2.
Article Abstract
The complexation of two equivalents of a cyclic (alkyl)(amino)carbene (CAAC) to tetrabromodiborane, followed by reduction with four equivalents of sodium naphthalide, led to the formation of the CAAC-stabilized linear diboracumulene (CAAC)2B2. The capacity of the CAAC ligand to facilitate B2 →CAAC donation of π-electron density resulted in important differences between this species and a previously reported complex featuring a B≡B triple bond stabilized by cyclic di(amino)carbenes, including a longer B-B bond and shorter B-C bonds. Frontier orbital analysis indicated sharing of valence electrons across the entire linear C-B-B-C unit in (CAAC)2B2, which is supported by natural population analysis and cyclic voltammetry.
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| http://dx.doi.org/10.1002/anie.201403888 | DOI Listing |
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