Magnetic Properties of a Terbium-[1]Ferrocenophane Complex: Analogies between Lanthanide-Ferrocenophane and Lanthanide-Bis-phthalocyanine Complexes

Trevor P Latendresse; Veacheslav Vieru; Branford O Wilkins; Nattamai S Bhuvanesh; Liviu F Chibotaru; Michael Nippe

doi:10.1002/anie.201804075

Magnetic Properties of a Terbium-[1]Ferrocenophane Complex: Analogies between Lanthanide-Ferrocenophane and Lanthanide-Bis-phthalocyanine Complexes

Angew Chem Int Ed Engl. 2018 Jul 2;57(27):8164-8169. doi: 10.1002/anie.201804075. Epub 2018 Jun 6.

Authors

Trevor P Latendresse¹, Veacheslav Vieru², Branford O Wilkins¹, Nattamai S Bhuvanesh¹, Liviu F Chibotaru², Michael Nippe¹

Affiliations

¹ Department of Chemistry, Texas A&M University, 3255 TAMU, College Station, TX, 77843, USA.
² Theory of Nanomaterials Group, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001, Leuven, Belgium.

PMID: 29734485
DOI: 10.1002/anie.201804075

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.

Keywords: ab initio calculations; ferrocene; metallocenophane; molecular magnetism; terbium.

Publication types

Research Support, Non-U.S. Gov't