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 t...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
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| Series: | Chemistry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2624-8549/6/6/96 |
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