FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2313462605> ?p ?o ?g. }

• W2313462605 endingPage "3327" @default.
• W2313462605 startingPage "3320" @default.
• W2313462605 abstract "Density functional theory (DFT) was used to elucidate the mechanism of n-butane hydrogenolysis (into propane, ethane, and methane) on well-defined zirconium hydrides supported on SBA15 coordinated to the surface via N-donor surface pincer ligands: [(≡SiNH−)(≡SiO−)ZrH2] (A), [(≡SiNH−)2ZrH2] (B), [(≡SiNH−)(≡SiO−)2ZrH] (C), [(≡SiNH−)2(≡SiO−)ZrH] (D), [(≡SiN═)(≡Si–O−)ZrH] (E), and [(≡SiN═)(≡SiNH−)ZrH] (F). The roles of these hydrides have been investigated in C–H/C–C bond activation and cleavage. The dihydride A linked via a chelating [N,O] surface ligand was found to be more active than B, linked to the chelating [N,N] surface ligand. Moreover, the dihydride zirconium complexes are also more active than their corresponding monohydrides C–F. The C–C cleavage step occurs preferentially via β-alkyl transfer, which is the rate-limiting step in the alkane hydrogenolysis. The energetics of the comparative pathways over the potential energy surface diagram (PES) reveals the hydrogenolysis of n-butane into propane and ethane." @default.
• W2313462605 created "2016-06-24" @default.
• W2313462605 creator A5020675554 @default.
• W2313462605 creator A5031656871 @default.
• W2313462605 creator A5065633415 @default.
• W2313462605 creator A5074334575 @default.
• W2313462605 date "2014-07-01" @default.
• W2313462605 modified "2023-09-24" @default.
• W2313462605 title "C–H and C–C Activation of <i>n</i>-Butane with Zirconium Hydrides Supported on SBA15 Containing N-Donor Ligands: [(≡SiNH−)(≡SiX−)ZrH₂], [(≡SiNH−)(≡SiX−)₂ZrH], and[(≡SiN═)(≡SiX−)ZrH] (X = −NH–, −O−). A DFT Study" @default.
• W2313462605 cites W1523324905 @default.
• W2313462605 cites W1965877659 @default.
• W2313462605 cites W1978207670 @default.
• W2313462605 cites W19784250 @default.
• W2313462605 cites W1988147861 @default.
• W2313462605 cites W2026766057 @default.
• W2313462605 cites W2031403565 @default.
• W2313462605 cites W2038193875 @default.
• W2313462605 cites W2044683774 @default.
• W2313462605 cites W2046043754 @default.
• W2313462605 cites W2057614543 @default.
• W2313462605 cites W2058210956 @default.
• W2313462605 cites W2059484006 @default.
• W2313462605 cites W2063726108 @default.
• W2313462605 cites W2075905178 @default.
• W2313462605 cites W2076164944 @default.
• W2313462605 cites W2078146328 @default.
• W2313462605 cites W2079722810 @default.
• W2313462605 cites W2084613436 @default.
• W2313462605 cites W2086288648 @default.
• W2313462605 cites W2086663458 @default.
• W2313462605 cites W2089779723 @default.
• W2313462605 cites W2113149303 @default.
• W2313462605 cites W4300109386 @default.
• W2313462605 doi "https://doi.org/10.1021/om5000858" @default.
• W2313462605 hasPublicationYear "2014" @default.
• W2313462605 type Work @default.
• W2313462605 sameAs 2313462605 @default.
• W2313462605 citedByCount "17" @default.
• W2313462605 countsByYear W23134626052015 @default.
• W2313462605 countsByYear W23134626052016 @default.
• W2313462605 countsByYear W23134626052017 @default.
• W2313462605 countsByYear W23134626052020 @default.
• W2313462605 countsByYear W23134626052021 @default.
• W2313462605 countsByYear W23134626052022 @default.
• W2313462605 crossrefType "journal-article" @default.
• W2313462605 hasAuthorship W2313462605A5020675554 @default.
• W2313462605 hasAuthorship W2313462605A5031656871 @default.
• W2313462605 hasAuthorship W2313462605A5065633415 @default.
• W2313462605 hasAuthorship W2313462605A5074334575 @default.
• W2313462605 hasConcept C116569031 @default.
• W2313462605 hasConcept C155647269 @default.
• W2313462605 hasConcept C161790260 @default.
• W2313462605 hasConcept C170493617 @default.
• W2313462605 hasConcept C178790620 @default.
• W2313462605 hasConcept C179104552 @default.
• W2313462605 hasConcept C181886296 @default.
• W2313462605 hasConcept C185592680 @default.
• W2313462605 hasConcept C2776345496 @default.
• W2313462605 hasConcept C2777207669 @default.
• W2313462605 hasConcept C2778717364 @default.
• W2313462605 hasConcept C2781327020 @default.
• W2313462605 hasConcept C534791751 @default.
• W2313462605 hasConcept C55493867 @default.
• W2313462605 hasConcept C71240020 @default.
• W2313462605 hasConcept C8010536 @default.
• W2313462605 hasConceptScore W2313462605C116569031 @default.
• W2313462605 hasConceptScore W2313462605C155647269 @default.
• W2313462605 hasConceptScore W2313462605C161790260 @default.
• W2313462605 hasConceptScore W2313462605C170493617 @default.
• W2313462605 hasConceptScore W2313462605C178790620 @default.
• W2313462605 hasConceptScore W2313462605C179104552 @default.
• W2313462605 hasConceptScore W2313462605C181886296 @default.
• W2313462605 hasConceptScore W2313462605C185592680 @default.
• W2313462605 hasConceptScore W2313462605C2776345496 @default.
• W2313462605 hasConceptScore W2313462605C2777207669 @default.
• W2313462605 hasConceptScore W2313462605C2778717364 @default.
• W2313462605 hasConceptScore W2313462605C2781327020 @default.
• W2313462605 hasConceptScore W2313462605C534791751 @default.
• W2313462605 hasConceptScore W2313462605C55493867 @default.
• W2313462605 hasConceptScore W2313462605C71240020 @default.
• W2313462605 hasConceptScore W2313462605C8010536 @default.
• W2313462605 hasIssue "13" @default.
• W2313462605 hasLocation W23134626051 @default.
• W2313462605 hasOpenAccess W2313462605 @default.
• W2313462605 hasPrimaryLocation W23134626051 @default.
• W2313462605 hasRelatedWork W103090562 @default.
• W2313462605 hasRelatedWork W1972572797 @default.
• W2313462605 hasRelatedWork W1985565332 @default.
• W2313462605 hasRelatedWork W1991573743 @default.
• W2313462605 hasRelatedWork W2001081078 @default.
• W2313462605 hasRelatedWork W2070809308 @default.
• W2313462605 hasRelatedWork W2072784284 @default.
• W2313462605 hasRelatedWork W2093299928 @default.
• W2313462605 hasRelatedWork W2264598457 @default.
• W2313462605 hasRelatedWork W55484603 @default.
• W2313462605 hasVolume "33" @default.
• W2313462605 isParatext "false" @default.
• W2313462605 isRetracted "false" @default.

• next