FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2593503852> ?p ?o ?g. }

• W2593503852 endingPage "2240" @default.
• W2593503852 startingPage "2232" @default.
• W2593503852 abstract "Solvent-induced shift of optical transition lines is traditionally described by the Lippert–McRae equation given in terms of the Onsager theory for dipole solvation. It splits the overall shift into the equilibrium solvation by induced dipoles and the reaction field by the permanent dipoles in equilibrium with the chromophore in the ground state. We have reconsidered this classical problem from the perspective of microscopic solvation theories. A microscopic solvation functional is derived, and continuum solvation is consistently introduced by taking the limit of zero wavevector in the reciprocal-space solvation susceptibility functions. We show that the phenomenological expression for the reaction field of permanent dipoles in the Lippert–McRae equation is not consistent with the microscopic theory. The main deficiency of the Lippert–McRae equation is the use of additivity of the response by permanent and induced dipoles of the liquid. An alternative closed-form equation for the spectral shift is derived. Its continuum limit allows a new, nonadditive functionality for the solvent-induced shift in terms of the high-frequency and static dielectric constants. The main qualitative outcome of the theory is a significantly weaker dependence of the spectral shift on the polarizability of the solvent than predicted by the Lippert–McRae formula." @default.
• W2593503852 created "2017-03-16" @default.
• W2593503852 creator A5003059556 @default.
• W2593503852 creator A5051795688 @default.
• W2593503852 date "2017-03-10" @default.
• W2593503852 modified "2023-10-03" @default.
• W2593503852 title "Solvent-Induced Shift of Spectral Lines in Polar–Polarizable Solvents" @default.
• W2593503852 cites W1532739870 @default.
• W2593503852 cites W1555283647 @default.
• W2593503852 cites W1591053498 @default.
• W2593503852 cites W1607288913 @default.
• W2593503852 cites W1966004948 @default.
• W2593503852 cites W1966871535 @default.
• W2593503852 cites W1967728492 @default.
• W2593503852 cites W1969073220 @default.
• W2593503852 cites W1972489737 @default.
• W2593503852 cites W1984399113 @default.
• W2593503852 cites W1985567612 @default.
• W2593503852 cites W1997736950 @default.
• W2593503852 cites W2015087450 @default.
• W2593503852 cites W2017216815 @default.
• W2593503852 cites W2021308443 @default.
• W2593503852 cites W2023739585 @default.
• W2593503852 cites W2046179424 @default.
• W2593503852 cites W2051344598 @default.
• W2593503852 cites W2055459945 @default.
• W2593503852 cites W2058128658 @default.
• W2593503852 cites W2070661288 @default.
• W2593503852 cites W2070709018 @default.
• W2593503852 cites W2073936935 @default.
• W2593503852 cites W2079372760 @default.
• W2593503852 cites W2090391132 @default.
• W2593503852 cites W2102873314 @default.
• W2593503852 cites W2114128758 @default.
• W2593503852 cites W2123050404 @default.
• W2593503852 cites W2127737840 @default.
• W2593503852 cites W2134421941 @default.
• W2593503852 cites W2161749517 @default.
• W2593503852 cites W2162429304 @default.
• W2593503852 cites W2323942962 @default.
• W2593503852 cites W2326203395 @default.
• W2593503852 cites W2330990817 @default.
• W2593503852 cites W2589011658 @default.
• W2593503852 cites W27727037 @default.
• W2593503852 cites W3098279839 @default.
• W2593503852 doi "https://doi.org/10.1021/acs.jpca.7b00414" @default.
• W2593503852 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28245115" @default.
• W2593503852 hasPublicationYear "2017" @default.
• W2593503852 type Work @default.
• W2593503852 sameAs 2593503852 @default.
• W2593503852 citedByCount "5" @default.
• W2593503852 countsByYear W25935038522017 @default.
• W2593503852 countsByYear W25935038522018 @default.
• W2593503852 countsByYear W25935038522019 @default.
• W2593503852 countsByYear W25935038522020 @default.
• W2593503852 crossrefType "journal-article" @default.
• W2593503852 hasAuthorship W2593503852A5003059556 @default.
• W2593503852 hasAuthorship W2593503852A5051795688 @default.
• W2593503852 hasBestOaLocation W25935038522 @default.
• W2593503852 hasConcept C121332964 @default.
• W2593503852 hasConcept C132439834 @default.
• W2593503852 hasConcept C133386390 @default.
• W2593503852 hasConcept C139287275 @default.
• W2593503852 hasConcept C147597530 @default.
• W2593503852 hasConcept C148093993 @default.
• W2593503852 hasConcept C173523689 @default.
• W2593503852 hasConcept C178790620 @default.
• W2593503852 hasConcept C185592680 @default.
• W2593503852 hasConcept C192468462 @default.
• W2593503852 hasConcept C2776122248 @default.
• W2593503852 hasConcept C2780471494 @default.
• W2593503852 hasConcept C2781288168 @default.
• W2593503852 hasConcept C32909587 @default.
• W2593503852 hasConcept C62520636 @default.
• W2593503852 hasConcept C64147673 @default.
• W2593503852 hasConceptScore W2593503852C121332964 @default.
• W2593503852 hasConceptScore W2593503852C132439834 @default.
• W2593503852 hasConceptScore W2593503852C133386390 @default.
• W2593503852 hasConceptScore W2593503852C139287275 @default.
• W2593503852 hasConceptScore W2593503852C147597530 @default.
• W2593503852 hasConceptScore W2593503852C148093993 @default.
• W2593503852 hasConceptScore W2593503852C173523689 @default.
• W2593503852 hasConceptScore W2593503852C178790620 @default.
• W2593503852 hasConceptScore W2593503852C185592680 @default.
• W2593503852 hasConceptScore W2593503852C192468462 @default.
• W2593503852 hasConceptScore W2593503852C2776122248 @default.
• W2593503852 hasConceptScore W2593503852C2780471494 @default.
• W2593503852 hasConceptScore W2593503852C2781288168 @default.
• W2593503852 hasConceptScore W2593503852C32909587 @default.
• W2593503852 hasConceptScore W2593503852C62520636 @default.
• W2593503852 hasConceptScore W2593503852C64147673 @default.
• W2593503852 hasFunder F4320337480 @default.
• W2593503852 hasIssue "11" @default.
• W2593503852 hasLocation W25935038521 @default.
• W2593503852 hasLocation W25935038522 @default.
• W2593503852 hasLocation W25935038523 @default.
• W2593503852 hasLocation W25935038524 @default.
• W2593503852 hasOpenAccess W2593503852 @default.

• next