Matches in SemOpenAlex for { <https://semopenalex.org/work/W4282940897> ?p ?o ?g. }
- W4282940897 endingPage "654" @default.
- W4282940897 startingPage "654" @default.
- W4282940897 abstract "The mechanism in palladium-catalyzed carboxylation of thiophene and CO2 is investigated using the density functional theory (DFT) calculations, including three consecutive steps of the formation of carbanion through breaking the C–H bond(s) via the palladium acetate, the elimination of acetic acid and the nucleophile attacking the weak electrophile CO2 to form C–C bond. Results show that the C–C bond is formed through taking the three-membered cyclic conformation arrangement involving the interaction of the transition metal and the CO2, and the CO2 insertion step is the rate-determining step for this entire reaction process. Aiming to precisely disclose what factor determine the origin of the activation energy barrier in this carboxylation reaction, the distortion/interaction analysis is performed along with the entire reaction coordinate." @default.
- W4282940897 created "2022-06-16" @default.
- W4282940897 creator A5000306511 @default.
- W4282940897 creator A5011827662 @default.
- W4282940897 creator A5090222092 @default.
- W4282940897 date "2022-06-15" @default.
- W4282940897 modified "2023-09-25" @default.
- W4282940897 title "Mechanistic Insights into Palladium(II)-Catalyzed Carboxylation of Thiophene and Carbon Dioxide" @default.
- W4282940897 cites W1925589081 @default.
- W4282940897 cites W1966792574 @default.
- W4282940897 cites W1985263856 @default.
- W4282940897 cites W2011215428 @default.
- W4282940897 cites W2015723183 @default.
- W4282940897 cites W2023579444 @default.
- W4282940897 cites W2029961407 @default.
- W4282940897 cites W2041340439 @default.
- W4282940897 cites W2044709737 @default.
- W4282940897 cites W2057641806 @default.
- W4282940897 cites W2060374327 @default.
- W4282940897 cites W2064730080 @default.
- W4282940897 cites W2082707392 @default.
- W4282940897 cites W2083240790 @default.
- W4282940897 cites W2132525235 @default.
- W4282940897 cites W2151114296 @default.
- W4282940897 cites W2171836549 @default.
- W4282940897 cites W2294626429 @default.
- W4282940897 cites W2317557352 @default.
- W4282940897 cites W2319104989 @default.
- W4282940897 cites W2320469460 @default.
- W4282940897 cites W2325601647 @default.
- W4282940897 cites W2328571531 @default.
- W4282940897 cites W2331452414 @default.
- W4282940897 cites W2400181174 @default.
- W4282940897 cites W2613698088 @default.
- W4282940897 cites W2620084388 @default.
- W4282940897 cites W2736038052 @default.
- W4282940897 cites W2736178248 @default.
- W4282940897 cites W2747469707 @default.
- W4282940897 cites W2899345753 @default.
- W4282940897 cites W2947837110 @default.
- W4282940897 cites W3003452768 @default.
- W4282940897 cites W3009908419 @default.
- W4282940897 cites W3022492666 @default.
- W4282940897 cites W3032097926 @default.
- W4282940897 cites W3151495442 @default.
- W4282940897 cites W3158379422 @default.
- W4282940897 cites W3201066342 @default.
- W4282940897 cites W2524381248 @default.
- W4282940897 doi "https://doi.org/10.3390/catal12060654" @default.
- W4282940897 hasPublicationYear "2022" @default.
- W4282940897 type Work @default.
- W4282940897 citedByCount "2" @default.
- W4282940897 countsByYear W42829408972022 @default.
- W4282940897 countsByYear W42829408972023 @default.
- W4282940897 crossrefType "journal-article" @default.
- W4282940897 hasAuthorship W4282940897A5000306511 @default.
- W4282940897 hasAuthorship W4282940897A5011827662 @default.
- W4282940897 hasAuthorship W4282940897A5090222092 @default.
- W4282940897 hasBestOaLocation W42829408971 @default.
- W4282940897 hasConcept C147597530 @default.
- W4282940897 hasConcept C152365726 @default.
- W4282940897 hasConcept C155647269 @default.
- W4282940897 hasConcept C161790260 @default.
- W4282940897 hasConcept C178790620 @default.
- W4282940897 hasConcept C178907741 @default.
- W4282940897 hasConcept C185592680 @default.
- W4282940897 hasConcept C21951064 @default.
- W4282940897 hasConcept C24428623 @default.
- W4282940897 hasConcept C2776673659 @default.
- W4282940897 hasConcept C2779953032 @default.
- W4282940897 hasConcept C50027330 @default.
- W4282940897 hasConcept C502130503 @default.
- W4282940897 hasConcept C75473681 @default.
- W4282940897 hasConcept C82894169 @default.
- W4282940897 hasConceptScore W4282940897C147597530 @default.
- W4282940897 hasConceptScore W4282940897C152365726 @default.
- W4282940897 hasConceptScore W4282940897C155647269 @default.
- W4282940897 hasConceptScore W4282940897C161790260 @default.
- W4282940897 hasConceptScore W4282940897C178790620 @default.
- W4282940897 hasConceptScore W4282940897C178907741 @default.
- W4282940897 hasConceptScore W4282940897C185592680 @default.
- W4282940897 hasConceptScore W4282940897C21951064 @default.
- W4282940897 hasConceptScore W4282940897C24428623 @default.
- W4282940897 hasConceptScore W4282940897C2776673659 @default.
- W4282940897 hasConceptScore W4282940897C2779953032 @default.
- W4282940897 hasConceptScore W4282940897C50027330 @default.
- W4282940897 hasConceptScore W4282940897C502130503 @default.
- W4282940897 hasConceptScore W4282940897C75473681 @default.
- W4282940897 hasConceptScore W4282940897C82894169 @default.
- W4282940897 hasIssue "6" @default.
- W4282940897 hasLocation W42829408971 @default.
- W4282940897 hasOpenAccess W4282940897 @default.
- W4282940897 hasPrimaryLocation W42829408971 @default.
- W4282940897 hasRelatedWork W2021766161 @default.
- W4282940897 hasRelatedWork W2036085160 @default.
- W4282940897 hasRelatedWork W2038680697 @default.
- W4282940897 hasRelatedWork W2320399678 @default.
- W4282940897 hasRelatedWork W2557285972 @default.