Matches in SemOpenAlex for { <https://semopenalex.org/work/W2046985407> ?p ?o ?g. }
- W2046985407 endingPage "8973" @default.
- W2046985407 startingPage "8965" @default.
- W2046985407 abstract "This paper presents a density functional theory study of the ruthenium-catalyzed olefin metathesis reactions. The ligand binding energy has been calculated in the first generation of Grubbs-type (PCy3)2Cl2Ru=CHPh (pre)catalyst, as well as in the heteroleptic (pre)catalytic systems in which a N-heterocyclic carbene, NHC, ligand substitutes a single phosphine. In agreement with experiments PCy3 coordinates more strongly to Ru in the heteroleptic (pre)catalysts than in the Grubbs-type (pre)catalyst. Moreover, ethene coordination and insertion into the Ru-alkylidene bond in the above-mentioned systems, as well as in the Hofmann type catalytic system with a cis-coordinated phosphane ligand, has been studied. The calculated insertion barrier for the NHC systems are lower than that of the (PCy3)2Cl2Ru=CHPh system. This is consistent with the higher activity experimentally observed for the NHC-based system." @default.
- W2046985407 created "2016-06-24" @default.
- W2046985407 creator A5053222658 @default.
- W2046985407 date "2002-07-01" @default.
- W2046985407 modified "2023-09-26" @default.
- W2046985407 title "Mechanism of Ruthenium-Catalyzed Olefin Metathesis Reactions from a Theoretical Perspective" @default.
- W2046985407 cites W1969335186 @default.
- W2046985407 cites W1974618533 @default.
- W2046985407 cites W1978402872 @default.
- W2046985407 cites W1978828093 @default.
- W2046985407 cites W1980501669 @default.
- W2046985407 cites W1982874544 @default.
- W2046985407 cites W1986031255 @default.
- W2046985407 cites W1993736232 @default.
- W2046985407 cites W1994356710 @default.
- W2046985407 cites W1998732907 @default.
- W2046985407 cites W1999425190 @default.
- W2046985407 cites W2002101192 @default.
- W2046985407 cites W2006412591 @default.
- W2046985407 cites W2009441924 @default.
- W2046985407 cites W2016383065 @default.
- W2046985407 cites W2016504200 @default.
- W2046985407 cites W2016698467 @default.
- W2046985407 cites W2019066397 @default.
- W2046985407 cites W2020114693 @default.
- W2046985407 cites W2020537876 @default.
- W2046985407 cites W2027475027 @default.
- W2046985407 cites W2028975039 @default.
- W2046985407 cites W2030687437 @default.
- W2046985407 cites W2033736258 @default.
- W2046985407 cites W2033950298 @default.
- W2046985407 cites W2033995806 @default.
- W2046985407 cites W2036527833 @default.
- W2046985407 cites W2038090818 @default.
- W2046985407 cites W2038224480 @default.
- W2046985407 cites W2038533471 @default.
- W2046985407 cites W2039115205 @default.
- W2046985407 cites W2054135606 @default.
- W2046985407 cites W2054874369 @default.
- W2046985407 cites W2055208155 @default.
- W2046985407 cites W2055230539 @default.
- W2046985407 cites W2055563809 @default.
- W2046985407 cites W2056744398 @default.
- W2046985407 cites W2058341941 @default.
- W2046985407 cites W2060571053 @default.
- W2046985407 cites W2062100561 @default.
- W2046985407 cites W2065040202 @default.
- W2046985407 cites W2066949448 @default.
- W2046985407 cites W2071594957 @default.
- W2046985407 cites W2071609537 @default.
- W2046985407 cites W2078202988 @default.
- W2046985407 cites W2082384784 @default.
- W2046985407 cites W2085217493 @default.
- W2046985407 cites W2086957099 @default.
- W2046985407 cites W2090529635 @default.
- W2046985407 cites W2098166392 @default.
- W2046985407 cites W2103347485 @default.
- W2046985407 cites W2110055050 @default.
- W2046985407 cites W2116741024 @default.
- W2046985407 cites W2129358463 @default.
- W2046985407 cites W2131537503 @default.
- W2046985407 cites W2134956231 @default.
- W2046985407 cites W2146263835 @default.
- W2046985407 cites W2150345533 @default.
- W2046985407 cites W2163207507 @default.
- W2046985407 cites W2949739838 @default.
- W2046985407 cites W2951421515 @default.
- W2046985407 cites W2951672535 @default.
- W2046985407 cites W2985121320 @default.
- W2046985407 cites W3036723969 @default.
- W2046985407 cites W4235937613 @default.
- W2046985407 cites W4242539993 @default.
- W2046985407 doi "https://doi.org/10.1021/ja016772s" @default.
- W2046985407 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12137552" @default.
- W2046985407 hasPublicationYear "2002" @default.
- W2046985407 type Work @default.
- W2046985407 sameAs 2046985407 @default.
- W2046985407 citedByCount "247" @default.
- W2046985407 countsByYear W20469854072012 @default.
- W2046985407 countsByYear W20469854072013 @default.
- W2046985407 countsByYear W20469854072014 @default.
- W2046985407 countsByYear W20469854072015 @default.
- W2046985407 countsByYear W20469854072016 @default.
- W2046985407 countsByYear W20469854072017 @default.
- W2046985407 countsByYear W20469854072018 @default.
- W2046985407 countsByYear W20469854072019 @default.
- W2046985407 countsByYear W20469854072020 @default.
- W2046985407 countsByYear W20469854072021 @default.
- W2046985407 countsByYear W20469854072022 @default.
- W2046985407 countsByYear W20469854072023 @default.
- W2046985407 crossrefType "journal-article" @default.
- W2046985407 hasAuthorship W2046985407A5053222658 @default.
- W2046985407 hasConcept C116569031 @default.
- W2046985407 hasConcept C147597530 @default.
- W2046985407 hasConcept C153914509 @default.
- W2046985407 hasConcept C155647269 @default.
- W2046985407 hasConcept C161790260 @default.
- W2046985407 hasConcept C170493617 @default.