FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034304817> ?p ?o ?g. }

• W2034304817 endingPage "4336" @default.
• W2034304817 startingPage "4331" @default.
• W2034304817 abstract "Calculations at B3LYP/6-31++G** + RECP (Sb) level have been performed for the protonation of C−H and C−C bonds of methane, ethane, propane, and isobutane by models of the liquid superacid media HF/SbF5. The antimony atoms were dealt with by relativistic effective core potentials. The species H2F+·Sb2F11- was considered as the model electrophile. The transition states for the protonation of the C−H bonds (H/H exchange) are similar to an H-carbonium ion interacting with the anion moiety. The enthalpies of activation for H/H exchange of alkanes were calculated in the range of 19 to 21 kcal/mol. For the protonation of the C−C bond, the enthalpy of activation strongly depends on the structure of the hydrocarbon being attacked, and was always higher than the enthalpy of activation for H/H exchange. This suggests the existence of steric demand for the C−C protonation." @default.
• W2034304817 created "2016-06-24" @default.
• W2034304817 creator A5001472825 @default.
• W2034304817 creator A5039782869 @default.
• W2034304817 creator A5071621270 @default.
• W2034304817 date "2001-04-17" @default.
• W2034304817 modified "2023-10-17" @default.
• W2034304817 title "DFT Calculations on the Protonation of Alkanes on HF/SbF₅ Superacids Using Cluster Models" @default.
• W2034304817 cites W1587986719 @default.
• W2034304817 cites W1965469488 @default.
• W2034304817 cites W1966276273 @default.
• W2034304817 cites W1966664745 @default.
• W2034304817 cites W1971109057 @default.
• W2034304817 cites W1977487216 @default.
• W2034304817 cites W1982035797 @default.
• W2034304817 cites W1983081517 @default.
• W2034304817 cites W1985313250 @default.
• W2034304817 cites W1986086272 @default.
• W2034304817 cites W1986244905 @default.
• W2034304817 cites W1986888908 @default.
• W2034304817 cites W1987036024 @default.
• W2034304817 cites W1992079787 @default.
• W2034304817 cites W1992298164 @default.
• W2034304817 cites W1995077409 @default.
• W2034304817 cites W2015486435 @default.
• W2034304817 cites W2016808239 @default.
• W2034304817 cites W2023000398 @default.
• W2034304817 cites W2026394340 @default.
• W2034304817 cites W2042883080 @default.
• W2034304817 cites W2043327592 @default.
• W2034304817 cites W2054056981 @default.
• W2034304817 cites W206269916 @default.
• W2034304817 cites W2070390899 @default.
• W2034304817 cites W2075286145 @default.
• W2034304817 cites W2076979538 @default.
• W2034304817 cites W2079229598 @default.
• W2034304817 cites W2083693447 @default.
• W2034304817 cites W2139916893 @default.
• W2034304817 cites W2324271063 @default.
• W2034304817 cites W2324398059 @default.
• W2034304817 cites W2519981373 @default.
• W2034304817 cites W285822096 @default.
• W2034304817 cites W2949237973 @default.
• W2034304817 cites W3208467871 @default.
• W2034304817 cites W4211192733 @default.
• W2034304817 doi "https://doi.org/10.1021/jp004310f" @default.
• W2034304817 hasPublicationYear "2001" @default.
• W2034304817 type Work @default.
• W2034304817 sameAs 2034304817 @default.
• W2034304817 citedByCount "25" @default.
• W2034304817 countsByYear W20343048172012 @default.
• W2034304817 countsByYear W20343048172014 @default.
• W2034304817 countsByYear W20343048172017 @default.
• W2034304817 countsByYear W20343048172018 @default.
• W2034304817 countsByYear W20343048172019 @default.
• W2034304817 countsByYear W20343048172021 @default.
• W2034304817 crossrefType "journal-article" @default.
• W2034304817 hasAuthorship W2034304817A5001472825 @default.
• W2034304817 hasAuthorship W2034304817A5039782869 @default.
• W2034304817 hasAuthorship W2034304817A5071621270 @default.
• W2034304817 hasConcept C121332964 @default.
• W2034304817 hasConcept C130188946 @default.
• W2034304817 hasConcept C145148216 @default.
• W2034304817 hasConcept C147597530 @default.
• W2034304817 hasConcept C147789679 @default.
• W2034304817 hasConcept C152365726 @default.
• W2034304817 hasConcept C155647269 @default.
• W2034304817 hasConcept C161790260 @default.
• W2034304817 hasConcept C178790620 @default.
• W2034304817 hasConcept C185592680 @default.
• W2034304817 hasConcept C201194858 @default.
• W2034304817 hasConcept C2776568683 @default.
• W2034304817 hasConcept C2777352791 @default.
• W2034304817 hasConcept C2778861962 @default.
• W2034304817 hasConcept C2779409356 @default.
• W2034304817 hasConcept C30095370 @default.
• W2034304817 hasConcept C3288061 @default.
• W2034304817 hasConcept C50027330 @default.
• W2034304817 hasConcept C71240020 @default.
• W2034304817 hasConcept C89031862 @default.
• W2034304817 hasConcept C97355855 @default.
• W2034304817 hasConceptScore W2034304817C121332964 @default.
• W2034304817 hasConceptScore W2034304817C130188946 @default.
• W2034304817 hasConceptScore W2034304817C145148216 @default.
• W2034304817 hasConceptScore W2034304817C147597530 @default.
• W2034304817 hasConceptScore W2034304817C147789679 @default.
• W2034304817 hasConceptScore W2034304817C152365726 @default.
• W2034304817 hasConceptScore W2034304817C155647269 @default.
• W2034304817 hasConceptScore W2034304817C161790260 @default.
• W2034304817 hasConceptScore W2034304817C178790620 @default.
• W2034304817 hasConceptScore W2034304817C185592680 @default.
• W2034304817 hasConceptScore W2034304817C201194858 @default.
• W2034304817 hasConceptScore W2034304817C2776568683 @default.
• W2034304817 hasConceptScore W2034304817C2777352791 @default.
• W2034304817 hasConceptScore W2034304817C2778861962 @default.
• W2034304817 hasConceptScore W2034304817C2779409356 @default.
• W2034304817 hasConceptScore W2034304817C30095370 @default.
• W2034304817 hasConceptScore W2034304817C3288061 @default.

• next