Matches in SemOpenAlex for { <https://semopenalex.org/work/W1504789076> ?p ?o ?g. }
- W1504789076 endingPage "3972" @default.
- W1504789076 startingPage "3966" @default.
- W1504789076 abstract "The X-ray crystal structure of a dimethyl sulfoxide (DMSO) coordinating complex [RuII(κ2-pdc)(tpy)(DMSO)] (H2pdc = 2,6-pyridyl dicarboxylic acid and tpy = 2,2′:6′,2″-terpyridine) led to the discovery of a unique RuIV═O configuration for the Ru-pybox (pybox = pyridine-bis(oxazoline) ligands) epoxidation catalyst by theoretical calculations. On the basis of this structure, a detailed theoretical study was conducted on the alkene epoxidation reaction using ruthenium-based epoxidation catalysts. It was found that the process of H2O2 coordination proceeded via an associative path in which one carboxylate detached. The following H2O-elimination step was found to be facilitated by the detached carboxylate group. The resulting RuIV═O rearranges to the species trans-2a-oxo, in which one carboxylate group is situated over the tpy ring; the trans-2a-oxo was found to have the lowest activation free energies toward alkene epoxidation. These results demonstrated the importance of the hemilabile properties of the pdc2– ligand for the Ru-pdc alkene epoxidation catalysts." @default.
- W1504789076 created "2016-06-24" @default.
- W1504789076 creator A5018863416 @default.
- W1504789076 creator A5023997633 @default.
- W1504789076 creator A5026292768 @default.
- W1504789076 creator A5047901288 @default.
- W1504789076 creator A5049418503 @default.
- W1504789076 creator A5064530138 @default.
- W1504789076 creator A5073216396 @default.
- W1504789076 date "2015-06-02" @default.
- W1504789076 modified "2023-10-16" @default.
- W1504789076 title "Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique Ru<sup>IV</sup>═O Structure from a Dimethyl Sulfoxide Coordinating Complex" @default.
- W1504789076 cites W1893886067 @default.
- W1504789076 cites W1972700629 @default.
- W1504789076 cites W1973264657 @default.
- W1504789076 cites W1984673555 @default.
- W1504789076 cites W1990442032 @default.
- W1504789076 cites W1993159930 @default.
- W1504789076 cites W1994956487 @default.
- W1504789076 cites W2004357042 @default.
- W1504789076 cites W2004932610 @default.
- W1504789076 cites W2006345722 @default.
- W1504789076 cites W2010153816 @default.
- W1504789076 cites W2023271753 @default.
- W1504789076 cites W2024914758 @default.
- W1504789076 cites W2030795020 @default.
- W1504789076 cites W2032568894 @default.
- W1504789076 cites W2051962881 @default.
- W1504789076 cites W2052240259 @default.
- W1504789076 cites W2056450153 @default.
- W1504789076 cites W2061029888 @default.
- W1504789076 cites W2061816086 @default.
- W1504789076 cites W2062113138 @default.
- W1504789076 cites W2062597121 @default.
- W1504789076 cites W2062606442 @default.
- W1504789076 cites W2064229323 @default.
- W1504789076 cites W2093350677 @default.
- W1504789076 cites W2102850556 @default.
- W1504789076 cites W2104716466 @default.
- W1504789076 cites W2109853465 @default.
- W1504789076 cites W2116396555 @default.
- W1504789076 cites W2121708455 @default.
- W1504789076 cites W2123534361 @default.
- W1504789076 cites W2131350133 @default.
- W1504789076 cites W2132185707 @default.
- W1504789076 cites W2143981217 @default.
- W1504789076 cites W2147446002 @default.
- W1504789076 cites W2150697053 @default.
- W1504789076 cites W2163301405 @default.
- W1504789076 cites W2172082552 @default.
- W1504789076 cites W2327971507 @default.
- W1504789076 cites W2328612740 @default.
- W1504789076 cites W2331727941 @default.
- W1504789076 cites W2950007794 @default.
- W1504789076 cites W3105938624 @default.
- W1504789076 doi "https://doi.org/10.1021/acscatal.5b00496" @default.
- W1504789076 hasPublicationYear "2015" @default.
- W1504789076 type Work @default.
- W1504789076 sameAs 1504789076 @default.
- W1504789076 citedByCount "10" @default.
- W1504789076 countsByYear W15047890762016 @default.
- W1504789076 countsByYear W15047890762017 @default.
- W1504789076 countsByYear W15047890762019 @default.
- W1504789076 countsByYear W15047890762020 @default.
- W1504789076 countsByYear W15047890762021 @default.
- W1504789076 countsByYear W15047890762023 @default.
- W1504789076 crossrefType "journal-article" @default.
- W1504789076 hasAuthorship W1504789076A5018863416 @default.
- W1504789076 hasAuthorship W1504789076A5023997633 @default.
- W1504789076 hasAuthorship W1504789076A5026292768 @default.
- W1504789076 hasAuthorship W1504789076A5047901288 @default.
- W1504789076 hasAuthorship W1504789076A5049418503 @default.
- W1504789076 hasAuthorship W1504789076A5064530138 @default.
- W1504789076 hasAuthorship W1504789076A5073216396 @default.
- W1504789076 hasConcept C116569031 @default.
- W1504789076 hasConcept C155647269 @default.
- W1504789076 hasConcept C161790260 @default.
- W1504789076 hasConcept C170493617 @default.
- W1504789076 hasConcept C178790620 @default.
- W1504789076 hasConcept C185592680 @default.
- W1504789076 hasConcept C2775944816 @default.
- W1504789076 hasConcept C2776254738 @default.
- W1504789076 hasConcept C2778074193 @default.
- W1504789076 hasConcept C2778448320 @default.
- W1504789076 hasConcept C2778452553 @default.
- W1504789076 hasConcept C2779485729 @default.
- W1504789076 hasConcept C55493867 @default.
- W1504789076 hasConcept C555196967 @default.
- W1504789076 hasConcept C71240020 @default.
- W1504789076 hasConceptScore W1504789076C116569031 @default.
- W1504789076 hasConceptScore W1504789076C155647269 @default.
- W1504789076 hasConceptScore W1504789076C161790260 @default.
- W1504789076 hasConceptScore W1504789076C170493617 @default.
- W1504789076 hasConceptScore W1504789076C178790620 @default.
- W1504789076 hasConceptScore W1504789076C185592680 @default.
- W1504789076 hasConceptScore W1504789076C2775944816 @default.
- W1504789076 hasConceptScore W1504789076C2776254738 @default.
- W1504789076 hasConceptScore W1504789076C2778074193 @default.