title: An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state.
abstract: Single-molecule magnets are compounds that exhibit magnetic bistability purely of molecular origin. The control of anisotropy and suppression of quantum tunneling to obtain a comprehensive picture of the relaxation pathway manifold, is of utmost importance with the ultimate goal of slowing the relaxation dynamics within single-molecule magnets to facilitate their potential applications. Combined ab initio calculations and detailed magnetization dynamics studies reveal the unprecedented relaxation mediated via the second excited state within a new DyNCN system comprising a valence-localized carbon coordinated to a single dysprosium(III) ion. The essentially C2v symmetry of the Dy(III) ion results in a new relaxation mechanism, hitherto unknown for mononuclear Dy(III) complexes, opening new perspectives for means of enhancing the anisotropy contribution to the spin-relaxation barrier.
authors: 1] State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China [2] School of Science, Xi'an Jiaotong University, Xi'an 710049, P. R. China.
authors: Yun-Nan
authors: YN
authors: Guo
authors: Theory of Nanomaterials Group, Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001 Leuven, Belgium.
authors: Liviu
authors: L
authors: Ungur
authors: Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors: Garrett E
authors: GE
authors: Granroth
authors: Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstrasse 15, 76131 Karlsruhe, Germany and Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggensteinn-Leopoldshafen, 76344 Karlsruhe, Germany.
authors: Annie K
authors: AK
authors: Powell
authors: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China.
authors: Chunji
authors: C
authors: Wu
authors: Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors: Stephen E
authors: SE
authors: Nagler
authors: State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China.
authors: Jinkui
authors: J
authors: Tang
authors: Theory of Nanomaterials Group, Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001 Leuven, Belgium.
authors: Liviu F
authors: LF
authors: Chibotaru
authors: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China.
authors: Dongmei
authors: D
authors: Cui