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- W2022676256 endingPage "1491" @default.
- W2022676256 startingPage "1491" @default.
- W2022676256 abstract "The solid state magnetic properties of an extensive series of neutral radical (S = ½) complexes associating cyclopentadienyl (Cp) and dithiolene ligands and formulated as [CpNi(dithiolene)]˙, are successfully rationalized through a combination of structural analysis of the crystal structures and broken symmetry DFT calculations. The highly delocalized spin density of these complexes allows for strong antiferromagnetic interactions between radical species, which involve not only short intermolecular S⋯S contacts but also S⋯Cp and Cp⋯Cp contacts, demonstrating that the cyclopentadienyl moiety can effectively act as a non-innocent ligand in metal complexes where it bears a sizeable fraction of the spin density, for example, up to 20% in these [CpNi(dithiolene)]˙ neutral radical complexes." @default.
- W2022676256 created "2016-06-24" @default.
- W2022676256 creator A5027991232 @default.
- W2022676256 creator A5044055446 @default.
- W2022676256 creator A5063749323 @default.
- W2022676256 date "2009-01-01" @default.
- W2022676256 modified "2023-10-17" @default.
- W2022676256 title "Experimental and theoretical evaluation of magnetic coupling in organometallic radicals: the eloquent case of face-to-face Cp⋯Cp interactions" @default.
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