作者: Silke Frömel , Constantin G. Daniliuc , Christoph Bannwarth , Stefan Grimme , Kathrin Bussmann
DOI: 10.1039/C6DT04206F
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摘要: The regioisomeric formal Mes2PCH2CH2B(C6F5)2 FLP methane splitting products Mes2P(H)CH2CH2B(CH3)(C6F5)2 and Mes2P(CH3)CH2CH2B(H)(C6F5)2 were produced by indirect stepwise reactions. They stable at 60 °C both characterized X-ray diffraction. A DFT analysis revealed that their formation from the CH4 would be endergonic +6.9 +3.6 kcal mol−1, respectively, it indicated elimination zwitterionic is kinetically hindered barriers of 54.0 72.3 respectively.