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Updated: Jul 13, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

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Published on: April 10, 2018

パラジウム複合体によって触媒化されたアセチレンによるビシリレーション反応のDFT計算研究

Andrea Bottoni1, Alicia Perez Higueruelo, Gian Pietro Miscione

  • 1Dipartimento di Chimica "G.Ciamician", Universita' di Bologna, via Selmi 2, 40126 Bologna, Italy. andrea@ciamserv.unibo.it

Journal of the American Chemical Society
|May 9, 2002
PubMed
まとめ

この研究では,DFT (((B3LYP)) 計算を用いたアルキンのパラジウム触媒バイシリレーションについて詳細に説明しています. 触媒サイクルには,酸化添加,多段階のシリル群移転,そしてイソメリゼーションがあり,最終的に (Z) -bis (シリル) エチネが形成されます.

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