Activation of C-H bond in propane by Pd(Ⅱ)-catalysts bearing ligands with charge-shift bonding chara

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:nienie123nie
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  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).
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