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Centrosymmetric Rb2Sb(C2O4)2.5(H2O)3 and Noncentrosymmetric RbSb2(C2O4)F5: Two Antimony (III) Oxalates as UV Optical Materials
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-08-02 , DOI: 10.1021/acs.inorgchem.3c02175
Weiyi Wang 1 , Xinyue Wang 1 , Lu Xu 1 , Die Zhang 1 , Jiale Xue 1 , Shuyao Wang 1 , Xuehua Dong 1 , Liling Cao 1 , Ling Huang 1 , Guohong Zou 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-08-02 , DOI: 10.1021/acs.inorgchem.3c02175
Weiyi Wang 1 , Xinyue Wang 1 , Lu Xu 1 , Die Zhang 1 , Jiale Xue 1 , Shuyao Wang 1 , Xuehua Dong 1 , Liling Cao 1 , Ling Huang 1 , Guohong Zou 2
Affiliation
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Herein, we have successfully synthesized two rubidium antimony (III) oxalates, namely, Rb2Sb(C2O4)2.5(H2O)3 and RbSb2(C2O4)F5, utilizing a low-temperature hydrothermal method. These two compounds share a similar chemical composition, consisting of Sb3+ cations with active lone pair electrons, alkali metal Rb+ ions, and planar π-conjugated C2O42– anions. However, they exhibit different symmetries, Rb2Sb(C2O4)2.5(H2O)3 is centrosymmetric (CS), while RbSb2(C2O4)F5 is noncentrosymmetric (NCS), which should be caused by the presence of F– ions. Notably, the NCS compound, RbSb2(C2O4)F5, demonstrates a moderate second-harmonic generation (SHG) response, approximately 1.3 times that of KH2PO4 (KDP), and exhibits a large birefringence of 0.09 at 546 nm. These characteristics indicate that RbSb2(C2O4)F5 holds promising potential as a nonlinear optical material for ultraviolet (UV) applications. Detailed structural analysis and theoretical calculations confirm that the excellent optical properties arise from the synergistic effects between Sb3+ cations with SCALP and planar π-conjugated [C2O4]2– groups.
中文翻译：
中心对称 Rb2Sb(C2O4)2.5(H2O)3 和非中心对称 RbSb2(C2O4)F5：两种草酸锑 (III) 作为紫外光学材料
在此，我们利用低温水热法成功合成了两种草酸铷锑(III)，即Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3和RbSb 2 (C 2 O 4 )F 5 。方法。这两种化合物具有相似的化学成分，由具有活性孤对电子的Sb 3+阳离子、碱金属Rb +离子和平面π共轭C 2 O 4 2–阴离子组成。然而，它们表现出不同的对称性，Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3是中心对称的(CS)，而RbSb 2 (C 2 O 4 )F 5是非中心对称的(NCS)，这应该是由于由于 F -离子的存在。值得注意的是，NCS 化合物 RbSb 2 (C 2 O 4 )F 5表现出中等的二次谐波产生 (SHG) 响应，约为 KH 2 PO 4 (KDP) 的 1.3 倍，并且在546 纳米。这些特性表明RbSb 2 (C 2 O 4 )F 5作为紫外(UV)应用的非线性光学材料具有广阔的潜力。详细的结构分析和理论计算证实，优异的光学性能源自Sb 3+阳离子与SCALP和平面π共轭[C 2 O 4 ] 2–基团之间的协同效应。
更新日期：2023-08-02
中文翻译：
中心对称 Rb2Sb(C2O4)2.5(H2O)3 和非中心对称 RbSb2(C2O4)F5：两种草酸锑 (III) 作为紫外光学材料
在此，我们利用低温水热法成功合成了两种草酸铷锑(III)，即Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3和RbSb 2 (C 2 O 4 )F 5 。方法。这两种化合物具有相似的化学成分，由具有活性孤对电子的Sb 3+阳离子、碱金属Rb +离子和平面π共轭C 2 O 4 2–阴离子组成。然而，它们表现出不同的对称性，Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3是中心对称的(CS)，而RbSb 2 (C 2 O 4 )F 5是非中心对称的(NCS)，这应该是由于由于 F -离子的存在。值得注意的是，NCS 化合物 RbSb 2 (C 2 O 4 )F 5表现出中等的二次谐波产生 (SHG) 响应，约为 KH 2 PO 4 (KDP) 的 1.3 倍，并且在546 纳米。这些特性表明RbSb 2 (C 2 O 4 )F 5作为紫外(UV)应用的非线性光学材料具有广阔的潜力。详细的结构分析和理论计算证实，优异的光学性能源自Sb 3+阳离子与SCALP和平面π共轭[C 2 O 4 ] 2–基团之间的协同效应。
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