Solvothermal synthesis, structure and physical properties of Cs[Cr(en)2MSe4] (M = Ge, Sn) with [MSe4]4− tetrahedra as chelating ligand
作者： Yingqi Wang , Ruiqi Wang , Qinglong Liu , Xiaofang Lai , Xian Zhang
DOI: 10.1039/C6DT00233A
关键词: Monoclinic crystal system 、 Computational chemistry 、 Solvothermal synthesis 、 Paramagnetism 、 Magnetization 、 Magnetic moment 、 Magnetic refrigeration 、 Chemistry 、 Crystallography 、 Band gap 、 Chromium
摘要: Two chromium chalcogenide Cs[Cr(en)2GeSe4] (1) and Cs[Cr(en)2SnSe4] (2) have been synthesized by a solvothermal method. Both compounds crystallize in the monoclinic space group P21/n. The structures of two are characterized isolated [Cr(en)2MSe4]− clusters separated Cs+ ions. optical properties were measured which indicate similar band gap 1.58 eV. DFT calculations demonstrated that valance maximum (VBM) consist Cr 3d orbitals Se 4p while conductive minimum (CBM) composed for both compounds, explains their energies. possess paramagnetic behaviors with effective magnetic moment 3.97μB 3.91μB Cs[Cr(en)2SnSe4], respectively. Field-dependent magnetization measurements potential as magnetocaloric materials, entropy change 11.6 J (kg K)−1 Cs[Cr(en)2GeSe4], 14.2 Cs[Cr(en)2SnSe4].
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