异质催化中的化学区域选择性:从理论方法来看,对C = O和C = C化有竞争性路径

David Loffreda1, Françoise Delbecq, Fabienne Vigné

  • 1Laboratoire de Chimie, UMR CNRS 5182, Ecole Normale Supérieure de Lyon, France. David.Loffreda@ens-lyon.fr

概括

这项研究挑战了催化化的典型反应性规则. 密度函数理论的计算表明,碳基组 (C=O) 在表面的烯酸中优先化,而不是碳-碳双键 (C=C).

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