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Noncentrosymmetric Rb3(COOH)3(H3BO3)2 vs Centrosymmetric Cs3(COOH)3(H3BO3)2
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2021-09-17 , DOI: 10.1021/acs.cgd.1c00931 Yunqiao Guo 1 , Die Zhang 1 , Ting Zheng 1 , Ling Huang 1 , Daojiang Gao 1 , Jian Bi 1 , Guohong Zou 2
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2021-09-17 , DOI: 10.1021/acs.cgd.1c00931 Yunqiao Guo 1 , Die Zhang 1 , Ting Zheng 1 , Ling Huang 1 , Daojiang Gao 1 , Jian Bi 1 , Guohong Zou 2
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Two new alkali metal formic-borates named Rb3(COOH)3(H3BO3)2 and Cs3(COOH)3(H3BO3)2 have been successfully synthesized under mild conditions. Influenced by the different cation sizes, these two stoichiometrically equivalent compounds reveal discrepant symmetries: Rb3(COOH)3(H3BO3)2 is noncentrosymmetric (NCS) while Cs3(COOH)3(H3BO3)2 is centrosymmetric (CS). Especially, these two title compounds exhibit unique planar [(COOH)3(H3BO3)2]3– layers constructed from two kinds of planar π-conjugated asymmetric BO3 and COOH units, which induce the large birefringence, 0.09@1064 nm for Rb3(COOH)3(H3BO3)2 and 0.10@1064 nm for Cs3(COOH)3(H3BO3)2, respectively. Optical property measurements indicate that these two compounds display short UV absorption edges, suggesting that they are promising short-wave UV birefringent materials. A detailed theoretical analysis confirmed that the excellent linear optical property was derived from the synergistic effect of the two kinds of π-conjugated planar groups.
中文翻译：
非中心对称 Rb3(COOH)3(H3BO3)2 与中心对称 Cs3(COOH)3(H3BO3)2
在温和的条件下成功合成了两种名为 Rb 3 (COOH) 3 (H 3 BO 3 ) 2和 Cs 3 (COOH) 3 (H 3 BO 3 ) 2 的新型碱金属甲酸硼酸盐。受不同阳离子尺寸的影响，这两种化学计量等效的化合物显示出不同的对称性：Rb 3 (COOH) 3 (H 3 BO 3 ) 2是非中心对称的(NCS) 而 Cs 3 (COOH) 3 (H 3 BO 3 ) 2是中心对称的 (CS)。特别是，这两种标题化合物表现出独特的平面 [(COOH) 3 (H 3 BO 3 ) 2 ] 3–层，由两种平面 π 共轭不对称 BO 3和 COOH 单元构成，导致大双折射，0.09@1064 Rb 3 (COOH) 3 (H 3 BO 3 ) 2为 nm，Cs 3 (COOH) 3 (H 3 BO 3 ) 2为 0.10@1064 nm， 分别。光学特性测量表明，这两种化合物显示出较短的紫外吸收边，表明它们是有前途的短波紫外双折射材料。详细的理论分析证实，优异的线性光学性能源于两种π共轭平面基团的协同作用。
更新日期：2021-10-06
中文翻译：
非中心对称 Rb3(COOH)3(H3BO3)2 与中心对称 Cs3(COOH)3(H3BO3)2
在温和的条件下成功合成了两种名为 Rb 3 (COOH) 3 (H 3 BO 3 ) 2和 Cs 3 (COOH) 3 (H 3 BO 3 ) 2 的新型碱金属甲酸硼酸盐。受不同阳离子尺寸的影响，这两种化学计量等效的化合物显示出不同的对称性：Rb 3 (COOH) 3 (H 3 BO 3 ) 2是非中心对称的(NCS) 而 Cs 3 (COOH) 3 (H 3 BO 3 ) 2是中心对称的 (CS)。特别是，这两种标题化合物表现出独特的平面 [(COOH) 3 (H 3 BO 3 ) 2 ] 3–层，由两种平面 π 共轭不对称 BO 3和 COOH 单元构成，导致大双折射，0.09@1064 Rb 3 (COOH) 3 (H 3 BO 3 ) 2为 nm，Cs 3 (COOH) 3 (H 3 BO 3 ) 2为 0.10@1064 nm， 分别。光学特性测量表明，这两种化合物显示出较短的紫外吸收边，表明它们是有前途的短波紫外双折射材料。详细的理论分析证实，优异的线性光学性能源于两种π共轭平面基团的协同作用。
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