FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1977133080> ?p ?o ?g. }

• W1977133080 endingPage "8833" @default.
• W1977133080 startingPage "8827" @default.
• W1977133080 abstract "The solvation of substituted phenylsulfenium ions and thiophenoxides in acetonitrile has been analyzed on the basis of experimental and theoretical data. Experimental solvation energies are obtained from previously reported oxidation and reduction potentials of the corresponding arylthiyl radicals in combination with theoretically calculated ionization potentials and electron affinities at the B3LYP/6-31+G(d) level. These calculations provide a consistent set of values in contrast to the data sets obtained in our previous paper (Larsen et al., J. Am. Chem. Soc. 2001, 123, 1723). The extracted solvation data show the expected substituent dependency for both kinds of ions, i.e., the absolute value of the solvation energy decreases as the charge becomes more delocalized. For the thiophenoxides there is good agreement between the experimental solvation energies and solvation energies computed using the polarizable continuum model (PCM). The solvation of the arylsulfenium ions is much stronger than predicted by the PCM method. This can be attributed to the formation of a strong covalent bond of the Ritter type between the arylsulfenium ion and one molecule of acetonitrile. When this interaction is included in the solvation energy calculations by means of a combined supermolecule and PCM approach the experimental data are reproduced within a few kcal mol-1. While the energy difference of the singlet and triplet spin states of the arylsulfenium ions is almost negligible in gas phase, the singlet cation is undoubtedly the dominating species in solution, since the triplet cation lacks the ability to form a covalent bond with acetonitrile." @default.
• W1977133080 created "2016-06-24" @default.
• W1977133080 creator A5011191507 @default.
• W1977133080 creator A5017613238 @default.
• W1977133080 creator A5057415554 @default.
• W1977133080 creator A5074866188 @default.
• W1977133080 date "2002-08-16" @default.
• W1977133080 modified "2023-10-18" @default.
• W1977133080 title "Solvation of Sulfur-Centered Cations and Anions in Acetonitrile" @default.
• W1977133080 cites W1963737263 @default.
• W1977133080 cites W1970549136 @default.
• W1977133080 cites W1973934867 @default.
• W1977133080 cites W1977386039 @default.
• W1977133080 cites W1994372519 @default.
• W1977133080 cites W1995042715 @default.
• W1977133080 cites W2021502908 @default.
• W1977133080 cites W2029867653 @default.
• W1977133080 cites W2030301990 @default.
• W1977133080 cites W2030841140 @default.
• W1977133080 cites W2042901397 @default.
• W1977133080 cites W2047204672 @default.
• W1977133080 cites W2047881936 @default.
• W1977133080 cites W2049060000 @default.
• W1977133080 cites W2049704162 @default.
• W1977133080 cites W2064390412 @default.
• W1977133080 cites W2072756676 @default.
• W1977133080 cites W2077528747 @default.
• W1977133080 cites W2078277930 @default.
• W1977133080 cites W2078630544 @default.
• W1977133080 cites W2085528148 @default.
• W1977133080 cites W2086505034 @default.
• W1977133080 cites W2087806037 @default.
• W1977133080 cites W2090002194 @default.
• W1977133080 cites W2143981217 @default.
• W1977133080 cites W2148284063 @default.
• W1977133080 cites W2171781886 @default.
• W1977133080 cites W2322128225 @default.
• W1977133080 cites W2326203395 @default.
• W1977133080 cites W2952996055 @default.
• W1977133080 doi "https://doi.org/10.1021/jp0207836" @default.
• W1977133080 hasPublicationYear "2002" @default.
• W1977133080 type Work @default.
• W1977133080 sameAs 1977133080 @default.
• W1977133080 citedByCount "22" @default.
• W1977133080 countsByYear W19771330802012 @default.
• W1977133080 countsByYear W19771330802013 @default.
• W1977133080 countsByYear W19771330802014 @default.
• W1977133080 countsByYear W19771330802015 @default.
• W1977133080 countsByYear W19771330802016 @default.
• W1977133080 countsByYear W19771330802018 @default.
• W1977133080 crossrefType "journal-article" @default.
• W1977133080 hasAuthorship W1977133080A5011191507 @default.
• W1977133080 hasAuthorship W1977133080A5017613238 @default.
• W1977133080 hasAuthorship W1977133080A5057415554 @default.
• W1977133080 hasAuthorship W1977133080A5074866188 @default.
• W1977133080 hasConcept C121332964 @default.
• W1977133080 hasConcept C145148216 @default.
• W1977133080 hasConcept C147192597 @default.
• W1977133080 hasConcept C147597530 @default.
• W1977133080 hasConcept C147789679 @default.
• W1977133080 hasConcept C148093993 @default.
• W1977133080 hasConcept C149823470 @default.
• W1977133080 hasConcept C178790620 @default.
• W1977133080 hasConcept C181500209 @default.
• W1977133080 hasConcept C184779094 @default.
• W1977133080 hasConcept C185592680 @default.
• W1977133080 hasConcept C19144061 @default.
• W1977133080 hasConcept C198291218 @default.
• W1977133080 hasConcept C2776122248 @default.
• W1977133080 hasConcept C2777463227 @default.
• W1977133080 hasConcept C32909587 @default.
• W1977133080 hasConcept C33062035 @default.
• W1977133080 hasConcept C64147673 @default.
• W1977133080 hasConcept C70050531 @default.
• W1977133080 hasConceptScore W1977133080C121332964 @default.
• W1977133080 hasConceptScore W1977133080C145148216 @default.
• W1977133080 hasConceptScore W1977133080C147192597 @default.
• W1977133080 hasConceptScore W1977133080C147597530 @default.
• W1977133080 hasConceptScore W1977133080C147789679 @default.
• W1977133080 hasConceptScore W1977133080C148093993 @default.
• W1977133080 hasConceptScore W1977133080C149823470 @default.
• W1977133080 hasConceptScore W1977133080C178790620 @default.
• W1977133080 hasConceptScore W1977133080C181500209 @default.
• W1977133080 hasConceptScore W1977133080C184779094 @default.
• W1977133080 hasConceptScore W1977133080C185592680 @default.
• W1977133080 hasConceptScore W1977133080C19144061 @default.
• W1977133080 hasConceptScore W1977133080C198291218 @default.
• W1977133080 hasConceptScore W1977133080C2776122248 @default.
• W1977133080 hasConceptScore W1977133080C2777463227 @default.
• W1977133080 hasConceptScore W1977133080C32909587 @default.
• W1977133080 hasConceptScore W1977133080C33062035 @default.
• W1977133080 hasConceptScore W1977133080C64147673 @default.
• W1977133080 hasConceptScore W1977133080C70050531 @default.
• W1977133080 hasIssue "37" @default.
• W1977133080 hasLocation W19771330801 @default.
• W1977133080 hasOpenAccess W1977133080 @default.
• W1977133080 hasPrimaryLocation W19771330801 @default.
• W1977133080 hasRelatedWork W1486331608 @default.

• next