シングレット酸素の反応のメカニズム. 2段階の非中間メカニズムです

Daniel A Singleton1, Chao Hang, Michael J Szymanski

  • 1Department of Chemistry, Texas A&M University, P.O. Box 30012, College Station, Texas 77842, USA. singleton@mail.chem.tamu.edu

まとめ

同位体効果を用いたアルケーンとシングレット酸素の反応メカニズムの調査は,標準理論計算の限界を明らかにした. 高レベルのコンピューティングアプローチは,実験データを正確に予測し,中間体なしの2つの移行状態を示しました.

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