Matches in SemOpenAlex for { <https://semopenalex.org/work/W2091027300> ?p ?o ?g. }
- W2091027300 endingPage "92" @default.
- W2091027300 startingPage "81" @default.
- W2091027300 abstract "Carbon atom scrambling is observed in benzenium ions in the mass spectrometer and in isotopic labeling experiments in the methanol-to-hydrocarbons reaction over acidic zeolites. We have shown plausible scrambling mechanisms in ethyl- and isopropylbenzenium ions and various intramolecular interconversion reactions that may take place in alkylbenzenium ions. Quantum chemical Density Functional Theory (DFT) modeling at the B3LYP/cc-pVTZ//B3LYP/6-311G(d,p) level of theory has been carried out to investigate carbon atom scrambling reactions in ethyl- and isopropyl(methyl)benzenium ions. A total of 85 stationary points have been calculated (48 minima and 37 transition states). The carbon atom scrambling reactions start with an initial ring expansion of the benzenium ions to a seven-membered ring. The seven-membered ring may rearrange and at a later stage re-contract to the original benzenium species, albeit with some atoms interchanged, i.e. there has been atom scrambling. Copyright © 2005 John Wiley & Sons, Ltd." @default.
- W2091027300 created "2016-06-24" @default.
- W2091027300 creator A5011373825 @default.
- W2091027300 creator A5036752492 @default.
- W2091027300 creator A5054973181 @default.
- W2091027300 date "2006-02-01" @default.
- W2091027300 modified "2023-10-09" @default.
- W2091027300 title "Theoretical study of carbon atom scrambling in benzenium ions with ethyl or isopropyl groups" @default.
- W2091027300 cites W14872874 @default.
- W2091027300 cites W1966616862 @default.
- W2091027300 cites W1967261265 @default.
- W2091027300 cites W1971071978 @default.
- W2091027300 cites W1972843218 @default.
- W2091027300 cites W1973188976 @default.
- W2091027300 cites W1979582484 @default.
- W2091027300 cites W1980256891 @default.
- W2091027300 cites W1982161275 @default.
- W2091027300 cites W1992896272 @default.
- W2091027300 cites W2011693486 @default.
- W2091027300 cites W2012942946 @default.
- W2091027300 cites W2014020058 @default.
- W2091027300 cites W2023260580 @default.
- W2091027300 cites W2026166998 @default.
- W2091027300 cites W2032132783 @default.
- W2091027300 cites W2044719522 @default.
- W2091027300 cites W2056331979 @default.
- W2091027300 cites W2066524922 @default.
- W2091027300 cites W2077950940 @default.
- W2091027300 cites W2085653750 @default.
- W2091027300 cites W2086457179 @default.
- W2091027300 cites W2088326695 @default.
- W2091027300 cites W2089362371 @default.
- W2091027300 cites W2090431490 @default.
- W2091027300 cites W2091663225 @default.
- W2091027300 cites W2093698061 @default.
- W2091027300 cites W2110699858 @default.
- W2091027300 cites W2116367937 @default.
- W2091027300 cites W2130411174 @default.
- W2091027300 cites W2141565159 @default.
- W2091027300 cites W2144462092 @default.
- W2091027300 cites W2171406881 @default.
- W2091027300 cites W2334349389 @default.
- W2091027300 cites W4211155074 @default.
- W2091027300 doi "https://doi.org/10.1002/poc.1013" @default.
- W2091027300 hasPublicationYear "2006" @default.
- W2091027300 type Work @default.
- W2091027300 sameAs 2091027300 @default.
- W2091027300 citedByCount "11" @default.
- W2091027300 countsByYear W20910273002012 @default.
- W2091027300 countsByYear W20910273002013 @default.
- W2091027300 countsByYear W20910273002019 @default.
- W2091027300 crossrefType "journal-article" @default.
- W2091027300 hasAuthorship W2091027300A5011373825 @default.
- W2091027300 hasAuthorship W2091027300A5036752492 @default.
- W2091027300 hasAuthorship W2091027300A5054973181 @default.
- W2091027300 hasConcept C104264131 @default.
- W2091027300 hasConcept C104779481 @default.
- W2091027300 hasConcept C126661725 @default.
- W2091027300 hasConcept C138885662 @default.
- W2091027300 hasConcept C140205800 @default.
- W2091027300 hasConcept C145148216 @default.
- W2091027300 hasConcept C147597530 @default.
- W2091027300 hasConcept C149635348 @default.
- W2091027300 hasConcept C152365726 @default.
- W2091027300 hasConcept C155647269 @default.
- W2091027300 hasConcept C159985019 @default.
- W2091027300 hasConcept C161790260 @default.
- W2091027300 hasConcept C178790620 @default.
- W2091027300 hasConcept C182548165 @default.
- W2091027300 hasConcept C185592680 @default.
- W2091027300 hasConcept C192562407 @default.
- W2091027300 hasConcept C2779607525 @default.
- W2091027300 hasConcept C2780378348 @default.
- W2091027300 hasConcept C2993252241 @default.
- W2091027300 hasConcept C41008148 @default.
- W2091027300 hasConcept C41895202 @default.
- W2091027300 hasConcept C58312451 @default.
- W2091027300 hasConcept C71240020 @default.
- W2091027300 hasConcept C75079739 @default.
- W2091027300 hasConcept C89031862 @default.
- W2091027300 hasConceptScore W2091027300C104264131 @default.
- W2091027300 hasConceptScore W2091027300C104779481 @default.
- W2091027300 hasConceptScore W2091027300C126661725 @default.
- W2091027300 hasConceptScore W2091027300C138885662 @default.
- W2091027300 hasConceptScore W2091027300C140205800 @default.
- W2091027300 hasConceptScore W2091027300C145148216 @default.
- W2091027300 hasConceptScore W2091027300C147597530 @default.
- W2091027300 hasConceptScore W2091027300C149635348 @default.
- W2091027300 hasConceptScore W2091027300C152365726 @default.
- W2091027300 hasConceptScore W2091027300C155647269 @default.
- W2091027300 hasConceptScore W2091027300C159985019 @default.
- W2091027300 hasConceptScore W2091027300C161790260 @default.
- W2091027300 hasConceptScore W2091027300C178790620 @default.
- W2091027300 hasConceptScore W2091027300C182548165 @default.
- W2091027300 hasConceptScore W2091027300C185592680 @default.
- W2091027300 hasConceptScore W2091027300C192562407 @default.
- W2091027300 hasConceptScore W2091027300C2779607525 @default.
- W2091027300 hasConceptScore W2091027300C2780378348 @default.