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Updated: Feb 18, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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cis-[Pd(NHC) 2(η2-O2) に結合するリガンド誘導反応性

Taryn D Palluccio1, Xiaochen Cai2, Subhojit Majumdar2

  • 1Department of Chemistry, Tufts University , 62 Talbot Avenue, Medford, Massachusetts 02155, United States.

Journal of the American Chemical Society
|November 28, 2017
PubMed
まとめ

この研究では,新しいパラジウム過酸化複合体,cis-[Pd(IPr) 2,η2-O2) が,酸素とさらに反応してユニークなbis-超酸化複合体,trans-[Pd(IPr) 2を形成します. この複合体の反応性の上昇は,酸素結合に影響を与えるステリック因子と関連している.

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