State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, People's Republic of China.
Theoretical Condensed Matter Physics and Computational Materials Physics Laboratory, School of Physical Sciences, University of Chinese Academy of Sciences , Beijing 100049, People's Republic of China.
J Am Chem Soc. 2017 Oct 11;139(40):14057-14060. doi: 10.1021/jacs.7b09246. Epub 2017 Sep 29.
Search for a new geometrically frustrated lattice is a great challenge. Herein, we report on a successful synthesis of two new layered compounds BiOCu(XO)(SO)(OH)·HO [X = Te (1) and Se (2)] with a new type of geometrically frustrated lattice (i.e., the octa-kagomé lattice) between kagomé and star motifs. Magnetic measurements confirmed that 1 exhibits a spin gap ground state, while 2 possesses a typical antiferromagnetic ordering at low-temperature. Such different magnetic behaviors between two isostructural compounds are suggested to originate from a slightly structural modification induced by nonmagnetic XO anionic groups. Theoretical simulations suggest that the origin of gapped ground state in 1 may be due to the dimerization of Cu ions, while 2 may break the limiting of such dimerization, leading to an antiferromagnetic ordering.
寻找新的几何阻挫晶格是一个巨大的挑战。在此,我们成功合成了两种新型层状化合物 BiOCu(XO)(SO)(OH)·HO [X = Te(1)和 Se(2)],它们具有一种新的几何阻挫晶格(即八面体-kagomé 晶格),介于 kagomé 和星型图案之间。磁性测量证实,1 表现出自旋能隙基态,而 2 在低温下具有典型的反铁磁有序。这两种同构化合物之间的不同磁行为表明,这可能源于非磁性 XO 阴离子基团引起的略微结构修饰。理论模拟表明,1 中基态出现能隙的原因可能是 Cu 离子的二聚化,而 2 可能打破了这种二聚化的限制,导致反铁磁有序。