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- W2319318146 abstract "The spin density of the free radical DPPH (diphenylpicrylhydrazyl) has been studied in the crys ta l l ized form DPPH CgHg with the paramagnetic moments orientated, a t low temperature, by an external magnetic f i e ld . As the crys ta l s t ructure i s not centro-symmetrical, i t is not possible to obtain d i rec t ly the magnetic s t ruc ture factors from the experimental f l ipping r a t io s measured by polarized neutron di f f rac t ion. For t h i s reason we have represented the spin density by a multipole expansion on the different atons, and determined d i rec t ly the parameters of this expansion by comparing with the observed flipping r a t i o s . A large amount of the spin density i s shared between the 2 nitrogen atoms (% and Ng) of the hydrazyl group. The remaining part i s delocalized on the 2 phenyl and the picryl r ings . These r e su l t s are compared to magnetic resonance data." @default.
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- W2319318146 date "1984-08-09" @default.
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- W2319318146 title "Determination by polarized neutron diffraction of the spin density distribution in a non-centrosymmetrical crystal of DPPH:C6H6" @default.
- W2319318146 doi "https://doi.org/10.1107/s0108767384094642" @default.
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