Propane CH activation by palladium complexes bearing ligands with Charge-shift bonding characteristics: A DFT study
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DOI: 10.1016/j.comptc.2017.06.004
Abstract: Abstract Using density functional theory (DFT), we have investigated the conversion of propane to propyl trifluoroacetate catalyzed by five kinds of (bis-2BB)PdBr2 complexes (bis-2BB is the derivatives of bis-2-borabicyclo[1.1.0]but-1(3)-ene). Calculated results indicate that the (bis-2BB)PdBr2… read more here.
Keywords: charge shift; bonding characteristics; pdbr2; shift bonding ... See more keywords