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A high anisotropy barrier in a sulfur-bridged organodysprosium single-molecule magnet |
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| Authors: | Tuna Floriana Smith Charlene A Bodensteiner Michael Ungur Liviu Chibotaru Liviu F McInnes Eric J L Winpenny Richard E P Collison David Layfield Richard A |
| Affiliation: | School of Chemistry and EPSRC UK National EPR Facility, The University of Manchester, UK. |
| Abstract: | The sulfur-bridged dimers [{Cp'(2)Ln(μ-SSiPh(3))}(2)] (Ln=Gd (1), Dy (2); Cp'=η(5)-C(5)H(4)Me) were synthesized by the transmetalation reactions between [Cp'(3)Ln] and Ph(3)SiSLi. Compound 2 is a single-molecule magnet with slow relaxation of magnetization up to 40 K and an anisotropy barrier of U(eff) =133 cm(-1). Insight into the SMM properties of 2 and closely related SMMs has been obtained using ab initio calculations. |
| Keywords: | ab initio calculations dysprosium organometallics single‐molecule magnets sulfur |
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