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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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
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MDPI AG
2024-12-01
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| Serie: | Chemistry |
| Soggetti: | |
| Accesso online: | https://www.mdpi.com/2624-8549/6/6/96 |
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