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• W2515525475 endingPage "3890" @default.
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• W2515525475 abstract "A high-level ab initio protocol to compute accurate electron affinities and half-wave reduction potentials is presented and applied for a series of electron-acceptor compounds with potential interest in organic electronics and redox flow batteries. The comprehensive comparison between the theoretical and experimental electron affinities not only proves the reliability of the theoretical G3(MP2) approach employed but also calls into question certain experimental measurements, which need to be revised. By using the thermodynamic cycle for the one-electron attachment reaction A+e- →A- , theoretical estimates for the first half-wave reduction potential have been computed along the series of electron-acceptor systems investigated, with maximum deviations from experiment of only 0.2 V. The precise inspection of the terms contributing to the half-wave reduction potential shows that the difference in the free energy of solvation between the neutral and the anionic species (ΔΔGsolv ) plays a crucial role in accurately estimating the electron-acceptor properties in solution, and thus it cannot be considered constant even in a family of related compounds. This term, which can be used to explain the occasional lack of correlation between electron affinities and reduction potentials, is rationalized by the (de)localization of the additional electron involved in the reduction process along the π-conjugated chemical structure." @default.
• W2515525475 created "2016-09-16" @default.
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• W2515525475 date "2016-09-28" @default.
• W2515525475 modified "2023-10-18" @default.
• W2515525475 title "Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds" @default.
• W2515525475 cites W1963839189 @default.
• W2515525475 cites W1965173894 @default.
• W2515525475 cites W1968095178 @default.
• W2515525475 cites W1977112634 @default.
• W2515525475 cites W1977350095 @default.
• W2515525475 cites W1977874591 @default.
• W2515525475 cites W1978386541 @default.
• W2515525475 cites W1984474008 @default.
• W2515525475 cites W1984956966 @default.
• W2515525475 cites W1989761868 @default.
• W2515525475 cites W1990037649 @default.
• W2515525475 cites W1995000974 @default.
• W2515525475 cites W1995120773 @default.
• W2515525475 cites W1995695899 @default.
• W2515525475 cites W1997151511 @default.
• W2515525475 cites W1997570491 @default.
• W2515525475 cites W1998732907 @default.
• W2515525475 cites W1999908786 @default.
• W2515525475 cites W2000867255 @default.
• W2515525475 cites W2002304043 @default.
• W2515525475 cites W2003245599 @default.
• W2515525475 cites W2003598892 @default.
• W2515525475 cites W2007213338 @default.
• W2515525475 cites W2007381121 @default.
• W2515525475 cites W2010790627 @default.
• W2515525475 cites W2011215428 @default.
• W2515525475 cites W2014777906 @default.
• W2515525475 cites W2018243851 @default.
• W2515525475 cites W2022939572 @default.
• W2515525475 cites W2025880126 @default.
• W2515525475 cites W2027445873 @default.
• W2515525475 cites W2029961407 @default.
• W2515525475 cites W2030677258 @default.
• W2515525475 cites W2031741831 @default.
• W2515525475 cites W2031794512 @default.
• W2515525475 cites W2031856796 @default.
• W2515525475 cites W2037215106 @default.
• W2515525475 cites W2037459593 @default.
• W2515525475 cites W2038102635 @default.
• W2515525475 cites W2039827935 @default.
• W2515525475 cites W2039868620 @default.
• W2515525475 cites W2040195084 @default.
• W2515525475 cites W2040292312 @default.
• W2515525475 cites W2040712964 @default.
• W2515525475 cites W2044159267 @default.
• W2515525475 cites W2056442048 @default.
• W2515525475 cites W2061977671 @default.
• W2515525475 cites W2062490274 @default.
• W2515525475 cites W2063166177 @default.
• W2515525475 cites W2065676916 @default.
• W2515525475 cites W2073777670 @default.
• W2515525475 cites W2075069239 @default.
• W2515525475 cites W2075711588 @default.
• W2515525475 cites W2086274316 @default.
• W2515525475 cites W2086505034 @default.
• W2515525475 cites W2087123654 @default.
• W2515525475 cites W2089325020 @default.
• W2515525475 cites W2090002194 @default.
• W2515525475 cites W2093256386 @default.
• W2515525475 cites W2094948510 @default.
• W2515525475 cites W2099145177 @default.
• W2515525475 cites W2099804963 @default.
• W2515525475 cites W2100154896 @default.
• W2515525475 cites W2102653893 @default.
• W2515525475 cites W2111003787 @default.
• W2515525475 cites W2125243015 @default.
• W2515525475 cites W2147294959 @default.
• W2515525475 cites W2156795937 @default.
• W2515525475 cites W2169527365 @default.
• W2515525475 cites W2195198051 @default.
• W2515525475 cites W2258170546 @default.
• W2515525475 cites W2300289766 @default.
• W2515525475 cites W2317621230 @default.
• W2515525475 cites W2318921255 @default.
• W2515525475 cites W2323785821 @default.
• W2515525475 cites W2396117938 @default.
• W2515525475 cites W27727037 @default.
• W2515525475 cites W2952298306 @default.
• W2515525475 cites W3005200531 @default.
• W2515525475 cites W588110516 @default.
• W2515525475 cites W650204842 @default.
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• W2515525475 doi "https://doi.org/10.1002/cphc.201600778" @default.
• W2515525475 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27595419" @default.
• W2515525475 hasPublicationYear "2016" @default.
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