title: Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.
abstract: Clusterfullerenes are capable of entrapping a variety of metal clusters within carbon cage, for which the entrapped metal cluster generally keeps its geometric structure (e.g., bond distance and angle) upon changing the isomeric structure of fullerene cage, and whether the properties of the entrapped metal cluster is geometry-dependent remains unclear. Herein we report an unusual triangular monometallic cluster entrapped in fullerene cage by isolating several novel terbium cyanide clusterfullerenes (TbNC@C82) with different cage isomeric structures. Upon varying the isomeric structure of C82cage from C2(5) to Cs(6) and to C2v(9), the entrapped triangular TbNC cluster exhibits significant distortions as evidenced by the changes of Tb-C(N) and C-N bond distances and variation of the Tb-C(N)-N(C) angle by up to 20°, revealing that the geometric structure of the entrapped triangular TbNC cluster is variable. All three TbNC@C82molecules are found to be single-ion magnets, and the change of the geometric structure of TbNC cluster directly leads to the alternation of the magnetic relaxation time of the corresponding TbNC@C82clusterfullerene.
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, Key Laboratory of Materials for Energy Conversion, Chinese Academy of Sciences, Department of Materials Science and Engineering, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China (USTC) , Hefei 230026, China.
authors.forename: Fupin
authors.initials: F
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China.
authors.forename: Cong-Li
authors.initials: CL
authors.lastname: Gao
authors.affiliation: Leibniz Institute for Solid State and Materials Research Dresden , Helmholtzstrasse 20, Dresden 01069, Germany.
authors.forename: Qingming
authors.initials: Q
authors.lastname: Deng
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, Key Laboratory of Materials for Energy Conversion, Chinese Academy of Sciences, Department of Materials Science and Engineering, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China (USTC) , Hefei 230026, China.
authors.forename: Xianjun
authors.initials: X
authors.lastname: Zhu
authors.affiliation: Physik-Institut, Universität Zürich , Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.
authors.forename: Aram
authors.initials: A
authors.lastname: Kostanyan
authors.affiliation: Physik-Institut, Universität Zürich , Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.
authors.forename: Rasmus
authors.initials: R
authors.lastname: Westerström
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, Key Laboratory of Materials for Energy Conversion, Chinese Academy of Sciences, Department of Materials Science and Engineering, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China (USTC) , Hefei 230026, China.
authors.forename: Song
authors.initials: S
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China.
authors.forename: Yuan-Zhi
authors.initials: YZ
authors.lastname: Tan
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China.
authors.forename: Jun
authors.initials: J
authors.lastname: Tao
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China.
authors.forename: Su-Yuan
authors.initials: SY
authors.lastname: Xie
authors.affiliation: Leibniz Institute for Solid State and Materials Research Dresden , Helmholtzstrasse 20, Dresden 01069, Germany.
authors.forename: Alexey A
authors.initials: AA
authors.lastname: Popov
authors.affiliation: Physik-Institut, Universität Zürich , Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.
authors.forename: Thomas
authors.initials: T
authors.lastname: Greber
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, Key Laboratory of Materials for Energy Conversion, Chinese Academy of Sciences, Department of Materials Science and Engineering, Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China (USTC) , Hefei 230026, China.
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang