Matches in SemOpenAlex for { <https://semopenalex.org/work/W2125004147> ?p ?o ?g. }
- W2125004147 endingPage "77" @default.
- W2125004147 startingPage "72" @default.
- W2125004147 abstract "The magnetic susceptibility of the dinuclear chromium(III) complex[(CH3CN)5CrOCr(NCCH3)5](BF4)4·2 CH3CN has been measured and analyzed. With a fitted value of the triplet energy J = 650 cm−1, the antiferromagnetic coupling is the strongest hitherto determined for an unsupported linear oxide-bridged dinuclear Cr(III) system. The applicability of DFT for computational prediction of exchange in strongly coupled chromium(III) dimers was examined and an optimal and accurate modeling approach was devised. By such modeling it was shown possible to reproduce experimental exchange coupling constants with small relative errors typically of less than 10% ranging from the strongest coupled systems to systems with moderately strong couplings. A significant influence (>20%) of the chemical nature of the peripheral, non-bridging ligands on the exchange coupling was found and rationalized." @default.
- W2125004147 created "2016-06-24" @default.
- W2125004147 creator A5004131082 @default.
- W2125004147 creator A5031512406 @default.
- W2125004147 creator A5073420294 @default.
- W2125004147 creator A5086252340 @default.
- W2125004147 creator A5088822503 @default.
- W2125004147 date "2013-02-01" @default.
- W2125004147 modified "2023-10-18" @default.
- W2125004147 title "Magnetic interactions in oxide-bridged dichromium(III) complexes. Computational determination of the importance of non-bridging ligands" @default.
- W2125004147 cites W1970000657 @default.
- W2125004147 cites W1970292201 @default.
- W2125004147 cites W1970475988 @default.
- W2125004147 cites W1972856876 @default.
- W2125004147 cites W1973237442 @default.
- W2125004147 cites W1981368803 @default.
- W2125004147 cites W1984210284 @default.
- W2125004147 cites W1986909681 @default.
- W2125004147 cites W1987610654 @default.
- W2125004147 cites W1988306316 @default.
- W2125004147 cites W1991149034 @default.
- W2125004147 cites W2000039966 @default.
- W2125004147 cites W2003122057 @default.
- W2125004147 cites W2004317737 @default.
- W2125004147 cites W2004531462 @default.
- W2125004147 cites W2006672352 @default.
- W2125004147 cites W2008423326 @default.
- W2125004147 cites W2013297692 @default.
- W2125004147 cites W2014647507 @default.
- W2125004147 cites W2017128151 @default.
- W2125004147 cites W2017999603 @default.
- W2125004147 cites W2019728187 @default.
- W2125004147 cites W2021292228 @default.
- W2125004147 cites W2022917780 @default.
- W2125004147 cites W2023271753 @default.
- W2125004147 cites W2023390323 @default.
- W2125004147 cites W2030687437 @default.
- W2125004147 cites W2031424106 @default.
- W2125004147 cites W2032972372 @default.
- W2125004147 cites W2037770993 @default.
- W2125004147 cites W2041041109 @default.
- W2125004147 cites W2045572748 @default.
- W2125004147 cites W2045952721 @default.
- W2125004147 cites W2046682990 @default.
- W2125004147 cites W2047524879 @default.
- W2125004147 cites W2056830237 @default.
- W2125004147 cites W2057832919 @default.
- W2125004147 cites W2070248735 @default.
- W2125004147 cites W2078146328 @default.
- W2125004147 cites W2079061135 @default.
- W2125004147 cites W2086957099 @default.
- W2125004147 cites W2089740902 @default.
- W2125004147 cites W2090339502 @default.
- W2125004147 cites W2103400998 @default.
- W2125004147 cites W2120586601 @default.
- W2125004147 cites W2143981217 @default.
- W2125004147 cites W2148284063 @default.
- W2125004147 cites W2619609791 @default.
- W2125004147 cites W2950128071 @default.
- W2125004147 cites W4206503925 @default.
- W2125004147 cites W76655107 @default.
- W2125004147 doi "https://doi.org/10.1016/j.ica.2012.10.004" @default.
- W2125004147 hasPublicationYear "2013" @default.
- W2125004147 type Work @default.
- W2125004147 sameAs 2125004147 @default.
- W2125004147 citedByCount "10" @default.
- W2125004147 countsByYear W21250041472014 @default.
- W2125004147 countsByYear W21250041472017 @default.
- W2125004147 countsByYear W21250041472018 @default.
- W2125004147 countsByYear W21250041472019 @default.
- W2125004147 countsByYear W21250041472022 @default.
- W2125004147 crossrefType "journal-article" @default.
- W2125004147 hasAuthorship W2125004147A5004131082 @default.
- W2125004147 hasAuthorship W2125004147A5031512406 @default.
- W2125004147 hasAuthorship W2125004147A5073420294 @default.
- W2125004147 hasAuthorship W2125004147A5086252340 @default.
- W2125004147 hasAuthorship W2125004147A5088822503 @default.
- W2125004147 hasConcept C121332964 @default.
- W2125004147 hasConcept C127413603 @default.
- W2125004147 hasConcept C131584629 @default.
- W2125004147 hasConcept C147597530 @default.
- W2125004147 hasConcept C147789679 @default.
- W2125004147 hasConcept C155355069 @default.
- W2125004147 hasConcept C16889073 @default.
- W2125004147 hasConcept C174348530 @default.
- W2125004147 hasConcept C174771821 @default.
- W2125004147 hasConcept C177872590 @default.
- W2125004147 hasConcept C178790620 @default.
- W2125004147 hasConcept C183276030 @default.
- W2125004147 hasConcept C185592680 @default.
- W2125004147 hasConcept C26873012 @default.
- W2125004147 hasConcept C2779851234 @default.
- W2125004147 hasConcept C31258907 @default.
- W2125004147 hasConcept C41008148 @default.
- W2125004147 hasConcept C511782168 @default.
- W2125004147 hasConcept C62520636 @default.
- W2125004147 hasConcept C78519656 @default.
- W2125004147 hasConcept C8010536 @default.