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A ring of rotaxanes:studies of a large paramagnetic assembly in solution
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作者 tom s.bennett Selina Nawaz +7 位作者 Selena J.Lockyer Deepak Asthana George F.S.Whitehead Inigo J.Vitorica-Yrezabal Grigore A.Timco Neil A.Burton Richard E.P.Winpenny Eric J.L.McInnes 《Inorganic Chemistry Frontiers》 2023年第23期6945-6952,共8页
Here we report the synthesis and structural characterization of four[7]rotaxanes formed by coordinating hybrid inorganic-organic[2]rotaxanes to a central{Ni_(12)}core.X-ray single crystal diffraction demonstrate that[... Here we report the synthesis and structural characterization of four[7]rotaxanes formed by coordinating hybrid inorganic-organic[2]rotaxanes to a central{Ni_(12)}core.X-ray single crystal diffraction demonstrate that[7]rotaxanes are formed,with a range of conformations in the crystal.Small angle X-ray scattering supported by molecular dynamic simulations demonstrates that the large molecules are stable in solution and also show that the conformers present in solution are not those found in the crystal.Pulsed EPR spectroscopy show that phase memory times for the{Cr_(7)Ni}rings,which have been proposed as qubits,are reduced but not dramatically by the presence of the{Ni_(12)}cage. 展开更多
关键词 synthesis molecular dynamic simulations paramagnetic assembly rotaxanes structural characterization large molecules X ray single crystal diffraction Ni core
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