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New cadmium-selenium-oxyhalides: Noncentrosymmetric Cd5(SeO3)4Cl2(H2O) and centrosymmetric Cd2(SeO3)F2, Cd2(SeO3)(OH)Br
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2019-02-27 , DOI: 10.1016/j.jssc.2019.02.033
Meng Shang , Lili Liu , P. Shiv Halasyamani

Three new cadmium-selenium-oxyhalides, Cd2(SeO3)F2, Cd5(SeO3)4Cl2(H2O) and Cd2(SeO3)(OH)Br, were successfully synthesized by hydrothermal methods. Among these three compounds, Cd5(SeO3)4Cl2(H2O) is noncentrosymmetric (NCS) and crystalizes in the polar space group P21. Powder second-harmonic generation (SHG) measurements using 1064 nm radiation indicate that Cd5(SeO3)4Cl2(H2O) exhibits SHG intensity of about 0.6 times of KH2PO4 (KDP). Cd2(SeO3)F2 and Cd2(SeO3)(OH)Br are centrosymmetric (CS) and crystalize in the space group Pnma and C2/c, respectively. The framework of Cd5(SeO3)4Cl2(H2O) is constructed by interconnected cadmium-oxygen-chlorine layers and cadmium-oxygen-chlorine chains with Se ions embedded into by sharing three oxygen atoms. Cd2(SeO3)F2 exhibits a three-dimensional (3D) structure with [CdO3F3] octahedra that are connected to [SeO3] polyhedra. Cd2(SeO3)(OH)Br exhibits a 3D structure consisting of [Cd(1)O2(OH)2Br2], [Cd(2)O4(OH)Br] and [SeO3] polyhedra. For all of the reported compounds, infrared spectroscopy, UV–vis diffuse reflectance spectroscopy and thermogravimetric measurements were performed.



中文翻译:

新的镉-硒-卤氧化物:非中心对称的Cd 5(SeO 34 Cl 2(H 2 O)和中心对称的Cd 2(SeO 3)F 2, Cd 2(SeO 3)(OH)Br

通过水热法成功地合成了三种新的镉-硒卤氧化物Cd 2(SeO 3)F 2, Cd 5(SeO 34 Cl 2(H 2 O)和Cd 2(SeO 3)(OH)Br。在这三种化合物中,Cd 5(SeO 34 Cl 2(H 2 O)是非中心对称的(NCS),并在极性空间群P 2 1中结晶。使用1064 nm辐射的粉末二次谐波生成(SHG)测量表明Cd 5(SeO34 Cl 2(H 2 O)的SHG强度约为KH 2 PO 4(KDP)的0.6倍。Cd 2(SeO 3)F 2和Cd 2(SeO 3)(OH)Br是中心对称的(CS),分别在空间群PnmaC 2 / c中结晶。Cd 5(SeO 34 Cl 2(H 2O)是由相互连接的镉-氧-氯层和镉-氧-氯链构成的,其中的Se离子通过共享三个氧原子嵌入其中。Cd 2(SeO 3)F 2表现出具有[CdO 3 F 3 ]八面体的三维(3D)结构,该八面体连接到[SeO 3 ]多面体。Cd 2(SeO 3)(OH)Br显示由[Cd(1)O 2(OH)2 Br 2 ],[Cd(2)O 4(OH)Br]和[SeO 3组成的3D结构]多面体。对于所有报告的化合物,均进行了红外光谱,紫外可见漫反射光谱和热重测量。

更新日期:2019-03-12
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