Matches in SemOpenAlex for { <https://semopenalex.org/work/W2031146461> ?p ?o ?g. }
- W2031146461 endingPage "3706" @default.
- W2031146461 startingPage "3706" @default.
- W2031146461 abstract "The polarizability and redox properties for the tetranuclear vanadium-oxide-carboxylates have been investigated using density functional theory (DFT). These so-called inorganic crown ethers possess large polarizabilities, which are equivalent to fullerene and generate large polarization on the guest anions into the host. The dipole-induced dipole interaction between the host and the guest anions induces charge transfer from the guest to the host, which is enhanced with the increasing polarization. Moreover, the redox potentials are sensitive to different guests inside the host bowl, and they shift negatively as compared to the isolated host bowl. In contrast, the modification of the methyl group by CH(2)tBu on the rim of the bowl has evoked higher polarizability (over 560 a.u.) with larger polarization on the guest anions and more negative redox potentials. The weak interaction energies in accord with the organic crown ether incorporating alkali metal ions indicate that the guest anions can move freely inside and outside the host bowl, so this kind of inorganic crown ether may exhibit potential guest-switchable redox properties based on reversible complexation-decomplexation and will be expected to find applications in ion recognition and selectivity studies based on the sensitivity to different guests." @default.
- W2031146461 created "2016-06-24" @default.
- W2031146461 creator A5013189975 @default.
- W2031146461 creator A5018135601 @default.
- W2031146461 creator A5049139699 @default.
- W2031146461 creator A5056103707 @default.
- W2031146461 creator A5067534896 @default.
- W2031146461 creator A5087707184 @default.
- W2031146461 date "2010-01-01" @default.
- W2031146461 modified "2023-09-25" @default.
- W2031146461 title "Theoretical study on the tetranuclear endohedral vanadyl carboxylates with guest-switchable redox properties and large polarizability" @default.
- W2031146461 cites W1917292384 @default.
- W2031146461 cites W1970634876 @default.
- W2031146461 cites W1972771902 @default.
- W2031146461 cites W1973706646 @default.
- W2031146461 cites W1976651404 @default.
- W2031146461 cites W1979463967 @default.
- W2031146461 cites W1979471068 @default.
- W2031146461 cites W1980596359 @default.
- W2031146461 cites W1983489751 @default.
- W2031146461 cites W1983852130 @default.
- W2031146461 cites W1985783077 @default.
- W2031146461 cites W1987675943 @default.
- W2031146461 cites W1988366071 @default.
- W2031146461 cites W1990676753 @default.
- W2031146461 cites W1992124731 @default.
- W2031146461 cites W1994139866 @default.
- W2031146461 cites W1995802225 @default.
- W2031146461 cites W1996173598 @default.
- W2031146461 cites W1997235459 @default.
- W2031146461 cites W1998825727 @default.
- W2031146461 cites W1999693018 @default.
- W2031146461 cites W2004250669 @default.
- W2031146461 cites W2009137637 @default.
- W2031146461 cites W2010637208 @default.
- W2031146461 cites W2011254772 @default.
- W2031146461 cites W2019066397 @default.
- W2031146461 cites W2019741950 @default.
- W2031146461 cites W2024009262 @default.
- W2031146461 cites W2024108046 @default.
- W2031146461 cites W2024135875 @default.
- W2031146461 cites W2024515218 @default.
- W2031146461 cites W2026074306 @default.
- W2031146461 cites W2027367049 @default.
- W2031146461 cites W2029862177 @default.
- W2031146461 cites W2030431769 @default.
- W2031146461 cites W2034269228 @default.
- W2031146461 cites W2036469778 @default.
- W2031146461 cites W2038239923 @default.
- W2031146461 cites W2053400004 @default.
- W2031146461 cites W2055563809 @default.
- W2031146461 cites W2055630203 @default.
- W2031146461 cites W2057437844 @default.
- W2031146461 cites W2057868894 @default.
- W2031146461 cites W2057876413 @default.
- W2031146461 cites W2061415084 @default.
- W2031146461 cites W2062342199 @default.
- W2031146461 cites W2066909906 @default.
- W2031146461 cites W2067769676 @default.
- W2031146461 cites W2072498646 @default.
- W2031146461 cites W2072981562 @default.
- W2031146461 cites W2073328513 @default.
- W2031146461 cites W2076072280 @default.
- W2031146461 cites W2081203189 @default.
- W2031146461 cites W2082955856 @default.
- W2031146461 cites W2083953186 @default.
- W2031146461 cites W2084472180 @default.
- W2031146461 cites W2087556080 @default.
- W2031146461 cites W2089357397 @default.
- W2031146461 cites W2089611742 @default.
- W2031146461 cites W2090521383 @default.
- W2031146461 cites W2091569501 @default.
- W2031146461 cites W2094807889 @default.
- W2031146461 cites W2099999624 @default.
- W2031146461 cites W2101713007 @default.
- W2031146461 cites W2110508988 @default.
- W2031146461 cites W2139489403 @default.
- W2031146461 cites W2139915273 @default.
- W2031146461 cites W2146393076 @default.
- W2031146461 cites W2150345533 @default.
- W2031146461 cites W2154355759 @default.
- W2031146461 cites W2160191259 @default.
- W2031146461 cites W2164342848 @default.
- W2031146461 cites W2167056888 @default.
- W2031146461 cites W2316763635 @default.
- W2031146461 cites W2950103087 @default.
- W2031146461 cites W2950232746 @default.
- W2031146461 cites W2950337686 @default.
- W2031146461 cites W2951306569 @default.
- W2031146461 cites W2951672535 @default.
- W2031146461 doi "https://doi.org/10.1039/b922876d" @default.
- W2031146461 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20354623" @default.
- W2031146461 hasPublicationYear "2010" @default.
- W2031146461 type Work @default.
- W2031146461 sameAs 2031146461 @default.
- W2031146461 citedByCount "14" @default.
- W2031146461 countsByYear W20311464612012 @default.
- W2031146461 countsByYear W20311464612013 @default.