Matches in SemOpenAlex for { <https://semopenalex.org/work/W2030422189> ?p ?o ?g. }
- W2030422189 endingPage "87" @default.
- W2030422189 startingPage "82" @default.
- W2030422189 abstract "1JCF coupling constants of α-fluorocarbonyl and α-fluorosulfonyl model compounds are analyzed at the BHandH/EPR-III level of density functional theory. For fluoroethanal, 1JCF follows the electrostatic-based behavior exhibited by 1,2-difluoroethane, whereas for (fluoromethyl)sulfone, hyperconjugation is indicated to be important as well. The variation of 1JCF during rotation about the CS bond parallels that of the nF → σ*CS donor–acceptor interaction, which is a result of the better electron acceptor ability of the σ*CS(O2) orbital when compared to the corresponding σ*CC(O) orbital of α-fluorocarbonyl compounds. Because the rotational profile of 1JCF is non-monotonic in (fluoromethyl)sulfone, this coupling constant is indicated to be of limited diagnostic value to probe the conformations of α-fluorosulfones." @default.
- W2030422189 created "2016-06-24" @default.
- W2030422189 creator A5015305457 @default.
- W2030422189 creator A5057192595 @default.
- W2030422189 date "2012-08-01" @default.
- W2030422189 modified "2023-09-24" @default.
- W2030422189 title "Density functional study of the one-bond C F coupling constant in α-fluorocarbonyl and α-fluorosulfonyl compounds" @default.
- W2030422189 cites W1968863974 @default.
- W2030422189 cites W1976805718 @default.
- W2030422189 cites W1981273823 @default.
- W2030422189 cites W1983172625 @default.
- W2030422189 cites W1983401069 @default.
- W2030422189 cites W1984427508 @default.
- W2030422189 cites W1993077801 @default.
- W2030422189 cites W2005814154 @default.
- W2030422189 cites W2018259275 @default.
- W2030422189 cites W2023271753 @default.
- W2030422189 cites W2032842297 @default.
- W2030422189 cites W2035382144 @default.
- W2030422189 cites W2038332949 @default.
- W2030422189 cites W2048612999 @default.
- W2030422189 cites W2051371294 @default.
- W2030422189 cites W2059024553 @default.
- W2030422189 cites W2070296670 @default.
- W2030422189 cites W2086957099 @default.
- W2030422189 cites W2097466198 @default.
- W2030422189 cites W2102615217 @default.
- W2030422189 cites W2117671723 @default.
- W2030422189 cites W2136042855 @default.
- W2030422189 cites W2143258611 @default.
- W2030422189 cites W2143981217 @default.
- W2030422189 cites W2144869962 @default.
- W2030422189 cites W2171946436 @default.
- W2030422189 cites W2317779022 @default.
- W2030422189 cites W2949624222 @default.
- W2030422189 cites W2950053924 @default.
- W2030422189 cites W4321429521 @default.
- W2030422189 doi "https://doi.org/10.1016/j.jfluchem.2012.05.007" @default.
- W2030422189 hasPublicationYear "2012" @default.
- W2030422189 type Work @default.
- W2030422189 sameAs 2030422189 @default.
- W2030422189 citedByCount "5" @default.
- W2030422189 countsByYear W20304221892012 @default.
- W2030422189 countsByYear W20304221892015 @default.
- W2030422189 countsByYear W20304221892016 @default.
- W2030422189 countsByYear W20304221892018 @default.
- W2030422189 countsByYear W20304221892019 @default.
- W2030422189 crossrefType "journal-article" @default.
- W2030422189 hasAuthorship W2030422189A5015305457 @default.
- W2030422189 hasAuthorship W2030422189A5057192595 @default.
- W2030422189 hasConcept C121332964 @default.
- W2030422189 hasConcept C130188946 @default.
- W2030422189 hasConcept C147597530 @default.
- W2030422189 hasConcept C147789679 @default.
- W2030422189 hasConcept C152365726 @default.
- W2030422189 hasConcept C177186529 @default.
- W2030422189 hasConcept C178790620 @default.
- W2030422189 hasConcept C183276030 @default.
- W2030422189 hasConcept C185592680 @default.
- W2030422189 hasConcept C2778806918 @default.
- W2030422189 hasConcept C2779892579 @default.
- W2030422189 hasConcept C2900893 @default.
- W2030422189 hasConcept C32909587 @default.
- W2030422189 hasConcept C62520636 @default.
- W2030422189 hasConcept C71240020 @default.
- W2030422189 hasConcept C75473681 @default.
- W2030422189 hasConcept C8010536 @default.
- W2030422189 hasConceptScore W2030422189C121332964 @default.
- W2030422189 hasConceptScore W2030422189C130188946 @default.
- W2030422189 hasConceptScore W2030422189C147597530 @default.
- W2030422189 hasConceptScore W2030422189C147789679 @default.
- W2030422189 hasConceptScore W2030422189C152365726 @default.
- W2030422189 hasConceptScore W2030422189C177186529 @default.
- W2030422189 hasConceptScore W2030422189C178790620 @default.
- W2030422189 hasConceptScore W2030422189C183276030 @default.
- W2030422189 hasConceptScore W2030422189C185592680 @default.
- W2030422189 hasConceptScore W2030422189C2778806918 @default.
- W2030422189 hasConceptScore W2030422189C2779892579 @default.
- W2030422189 hasConceptScore W2030422189C2900893 @default.
- W2030422189 hasConceptScore W2030422189C32909587 @default.
- W2030422189 hasConceptScore W2030422189C62520636 @default.
- W2030422189 hasConceptScore W2030422189C71240020 @default.
- W2030422189 hasConceptScore W2030422189C75473681 @default.
- W2030422189 hasConceptScore W2030422189C8010536 @default.
- W2030422189 hasFunder F4320322025 @default.
- W2030422189 hasFunder F4320322980 @default.
- W2030422189 hasLocation W20304221891 @default.
- W2030422189 hasOpenAccess W2030422189 @default.
- W2030422189 hasPrimaryLocation W20304221891 @default.
- W2030422189 hasRelatedWork W1994755283 @default.
- W2030422189 hasRelatedWork W1995302355 @default.
- W2030422189 hasRelatedWork W2030422189 @default.
- W2030422189 hasRelatedWork W2124229051 @default.
- W2030422189 hasRelatedWork W2333212464 @default.
- W2030422189 hasRelatedWork W2897370109 @default.
- W2030422189 hasRelatedWork W3034241775 @default.
- W2030422189 hasRelatedWork W4220687131 @default.
- W2030422189 hasRelatedWork W956981983 @default.