Matches in SemOpenAlex for { <https://semopenalex.org/work/W2047374611> ?p ?o ?g. }
- W2047374611 endingPage "83" @default.
- W2047374611 startingPage "78" @default.
- W2047374611 abstract "In this work the solvent effects on the structure and metal-to-ligand charge transfer (MLCT) transition of the complex [Ru(NH3)5(Pyrazine)]2+ was investigated in aqueous solution, using the hybrid Density Functional Theory/Effective Fragment Potential Hamiltonian (DFT/EFP/MD) approach. The MLCT transition causes a large charge separation in the complex and produces a dipole moment variation of 8.3 ± 1.1 Debye upon excitation in solution and causes a large red-shift of 0.55 ± 0.15 eV. The solvatochromic shift can be attributed to the large charge separation accompanying the MLCT transition in solution." @default.
- W2047374611 created "2016-06-24" @default.
- W2047374611 creator A5010001606 @default.
- W2047374611 creator A5020268382 @default.
- W2047374611 date "2014-09-01" @default.
- W2047374611 modified "2023-09-26" @default.
- W2047374611 title "Solvent effects on the metal-to-ligand charge transfer transition of the complex [Ru(NH3)5(Pyrazine)]2+" @default.
- W2047374611 cites W1975311504 @default.
- W2047374611 cites W1975845692 @default.
- W2047374611 cites W1981368803 @default.
- W2047374611 cites W1984007963 @default.
- W2047374611 cites W1987907156 @default.
- W2047374611 cites W1988091937 @default.
- W2047374611 cites W1989834263 @default.
- W2047374611 cites W1996846370 @default.
- W2047374611 cites W1997151511 @default.
- W2047374611 cites W2008423326 @default.
- W2047374611 cites W2013448634 @default.
- W2047374611 cites W2015723183 @default.
- W2047374611 cites W2017722938 @default.
- W2047374611 cites W2022950330 @default.
- W2047374611 cites W2023271753 @default.
- W2047374611 cites W2027529649 @default.
- W2047374611 cites W2027580421 @default.
- W2047374611 cites W2030687437 @default.
- W2047374611 cites W2042861886 @default.
- W2047374611 cites W2051909194 @default.
- W2047374611 cites W2054563415 @default.
- W2047374611 cites W2062852634 @default.
- W2047374611 cites W2064998085 @default.
- W2047374611 cites W2065497508 @default.
- W2047374611 cites W2073089555 @default.
- W2047374611 cites W2079935930 @default.
- W2047374611 cites W2085336624 @default.
- W2047374611 cites W2085510460 @default.
- W2047374611 cites W2086957099 @default.
- W2047374611 cites W2095100262 @default.
- W2047374611 cites W2095374362 @default.
- W2047374611 cites W2119547517 @default.
- W2047374611 cites W2126952850 @default.
- W2047374611 cites W2143981217 @default.
- W2047374611 cites W2145408306 @default.
- W2047374611 cites W2151220474 @default.
- W2047374611 cites W2161540239 @default.
- W2047374611 cites W2166198169 @default.
- W2047374611 cites W3036723969 @default.
- W2047374611 cites W4211057422 @default.
- W2047374611 doi "https://doi.org/10.1016/j.cplett.2014.07.074" @default.
- W2047374611 hasPublicationYear "2014" @default.
- W2047374611 type Work @default.
- W2047374611 sameAs 2047374611 @default.
- W2047374611 citedByCount "5" @default.
- W2047374611 countsByYear W20473746112016 @default.
- W2047374611 countsByYear W20473746112017 @default.
- W2047374611 countsByYear W20473746112018 @default.
- W2047374611 countsByYear W20473746112019 @default.
- W2047374611 countsByYear W20473746112020 @default.
- W2047374611 crossrefType "journal-article" @default.
- W2047374611 hasAuthorship W2047374611A5010001606 @default.
- W2047374611 hasAuthorship W2047374611A5020268382 @default.
- W2047374611 hasConcept C106773901 @default.
- W2047374611 hasConcept C116569031 @default.
- W2047374611 hasConcept C147597530 @default.
- W2047374611 hasConcept C147789679 @default.
- W2047374611 hasConcept C152365726 @default.
- W2047374611 hasConcept C159467904 @default.
- W2047374611 hasConcept C161790260 @default.
- W2047374611 hasConcept C170493617 @default.
- W2047374611 hasConcept C173523689 @default.
- W2047374611 hasConcept C178790620 @default.
- W2047374611 hasConcept C184651966 @default.
- W2047374611 hasConcept C185592680 @default.
- W2047374611 hasConcept C2777765701 @default.
- W2047374611 hasConcept C2780471494 @default.
- W2047374611 hasConcept C40899509 @default.
- W2047374611 hasConcept C55493867 @default.
- W2047374611 hasConcept C67218372 @default.
- W2047374611 hasConcept C71240020 @default.
- W2047374611 hasConcept C75473681 @default.
- W2047374611 hasConceptScore W2047374611C106773901 @default.
- W2047374611 hasConceptScore W2047374611C116569031 @default.
- W2047374611 hasConceptScore W2047374611C147597530 @default.
- W2047374611 hasConceptScore W2047374611C147789679 @default.
- W2047374611 hasConceptScore W2047374611C152365726 @default.
- W2047374611 hasConceptScore W2047374611C159467904 @default.
- W2047374611 hasConceptScore W2047374611C161790260 @default.
- W2047374611 hasConceptScore W2047374611C170493617 @default.
- W2047374611 hasConceptScore W2047374611C173523689 @default.
- W2047374611 hasConceptScore W2047374611C178790620 @default.
- W2047374611 hasConceptScore W2047374611C184651966 @default.
- W2047374611 hasConceptScore W2047374611C185592680 @default.
- W2047374611 hasConceptScore W2047374611C2777765701 @default.
- W2047374611 hasConceptScore W2047374611C2780471494 @default.
- W2047374611 hasConceptScore W2047374611C40899509 @default.
- W2047374611 hasConceptScore W2047374611C55493867 @default.
- W2047374611 hasConceptScore W2047374611C67218372 @default.
- W2047374611 hasConceptScore W2047374611C71240020 @default.
- W2047374611 hasConceptScore W2047374611C75473681 @default.