活性触媒の構造と反応経路を,アビニシオ分子動力学とオペランドから定義するXAFS:ロジウムクラスターによるダイメチラミノボランの脱水化

Roger Rousseau1, Gregory K Schenter, John L Fulton

  • 1Fundamental & Computer Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA. roger.rousseau@pnl.gov

まとめ

この研究では,ダイナミックなRh(4) クラスター触媒構造が,ジメチラミノボラン (DMAB) の脱水化に不可欠であることを明らかにしました. 特定された流動性種はXAFSデータと互換性があり,新しい触媒機構を提案しています.

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