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Acentric La3(IO3)8(OH) and La(IO3)2(NO3): Partial Substitution of Iodate Anions in La(IO3)3 by Hydroxide or Nitrate Anion
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-11-09 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02508
Fei-Fei Mao 1 , Chun-Li Hu , Bing-Xuan Li , Jiang-Gao Mao
Affiliation  

Partial substitution of iodate anions in La(IO3)3 by OH or NO3 anion led to acentric La3(IO3)8(OH) and chiral La(IO3)2(NO3). The structure of La3(IO3)8(OH) can be seen as a complex three-dimensional (3D) network composed of two-dimensional [La3(IO3)2(OH)]6+ cationic layers that are further bridged by remaining iodate anions, or alternatively as a 3D network composed of one-dimensional [La3(IO3)6(OH)]2+ cationic columns being further interconnected by additional iodate anions, while the structure of La(IO3)2(NO3) can be seen as a novel 3D structure with planar NO3 groups serving as linkage between the [La3(IO3)6]3+ triple layers. Compared to La(IO3)3, both compounds show considerably wide band gaps and enhanced thermal stability. La(IO3)2(NO3) shows a moderate second harmonic generation (SHG) response of ∼0.6 times that of KDP (KH2PO4), a wide band gap of 4.23 eV, and a high LDT value (22 × AgGaS2). Optical property measurements, thermal analysis, as well as theoretical calculations on SHG origin, were performed. It can be deduced that partial substitution of iodate anions can be a facile route to design new noncentrosymmetric metal iodates with novel structure and potential application.

中文翻译:

偏心La 3(IO 38(OH)和La(IO 32(NO 3):La(IO 33中的碘离子被氢氧化物或硝酸根阴离子部分取代

在La(IO碘酸阴离子的部分取代33被OH -或NO 3 -的阴离子导致偏心的La 3(IO 38(OH)和手性的La(IO 32(NO 3)。La 3(IO 38(OH)的结构可以看作是由二维[La 3(IO 32(OH)] 6+组成的复杂三维(3D)网络。阳离子层通过剩余的碘酸根阴离子进一步桥接,或作为由一维[La 3(IO 36(OH)] 2+阳离子柱组成的3D网络,通过另外的碘酸根阴离子进一步相互连接,而La(IO 32(NO 3)可以看作是一种新颖的3D结构,其中平面NO 3基团用作[La 3(IO 36 ] 3+三层之间的连接。与La(IO 33相比,这两种化合物都显示出相当宽的带隙和增强的热稳定性。La(IO 32(NO 3)显示出适度的二次谐波(SHG)响应,约为KDP(KH 2 PO 4)的0.6倍,宽带隙为4.23 eV,且LDT值较高(22× AgGaS 2)。进行了光学性能测量,热分析以及有关SHG起源的理论计算。可以推论碘代阴离子的部分取代可以成为设计具有新颖结构和潜在应用的新型非中心对称金属碘酸酯的简便途径。
更新日期:2017-11-09
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