異質な触媒における化学領域選択性:理論的なアプローチからC = OとC = Cの水素化のための競争路線

David Loffreda1, Françoise Delbecq, Fabienne Vigné

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

まとめ

この研究は,触媒性水素化の典型的な反応性規則に異議を唱えます. 密度関数理論の計算によると,カルボニル基 (C=O) は,プラチナ表面のアクロラインの炭素-炭素二重結合 (C=C) よりも好ましく水素化されている.

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