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DFT Investigation of the Mechanism of Methoxycarbonylation of Styrene by Palladium Chloride

The alkoxycarbonylation of styrene by palladium chloride is studied employing the density functional theory (DFT). Initially, [PdCl<sub>3</sub>]<sup>–</sup> reacts with methanol to form the methoxy-bound intermediate, which undergoes <i>β</i>-hydride elimination to form the key intermediate [PdCl<su...

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I tiakina i:
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Ngā kaituhi matua: Shanti Gopal Patra, Aritra Saha, Pratim Kumar Chattaraj
Hōputu: Artigo
Reo:Inglês
I whakaputaina: MDPI AG 2024-12-01
Rangatū:Chemistry
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Urunga tuihono:https://www.mdpi.com/2624-8549/6/6/96
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