Magnetic Properties of a Terbium–[1]Ferrocenophane Complex: Analogies between Lanthanide–Ferrocenophane and Lanthanide–Bis‐phthalocyanine Complexes |
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| Authors: | Trevor P Latendresse Dr Veacheslav Vieru Branford O Wilkins Dr Nattamai S Bhuvanesh Prof?Dr Liviu F Chibotaru Prof?Dr Michael Nippe |
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| Institution: | 1. Department of Chemistry, Texas A&M University, College Station, TX, USA;2. Theory of Nanomaterials Group, Katholieke Universiteit Leuven, Leuven, Belgium |
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| Abstract: | A rare example of an organometallic terbium single‐ion magnet is reported. A Tb3+–1]ferrocenophane complex displays a larger barrier to magnetization reversal than its isostructural Dy3+ analogue, which is reminiscent of trends observed for lanthanide–bis‐phthalocyanine complexes. Detailed ab initio calculations support the experimental observations and suggest a significantly larger ground‐state stabilization for the non‐Kramers ion Tb3+ in the Tb complex than for the Kramers‐ion Dy3+ in the Dy complex. |
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| Keywords: | ab initio calculations ferrocene metallocenophane molecular magnetism terbium |
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