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[Ag(NH3)2]2SO4: A Strategy for the Coordination of Cationic Moieties to Design Nonlinear Optical Materials**
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2021-07-15 , DOI: 10.1002/anie.202107780 Yi-Chang Yang 1 , Xin Liu 2 , Jing Lu 2 , Li-Ming Wu 2 , Ling Chen 1
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2021-07-15 , DOI: 10.1002/anie.202107780 Yi-Chang Yang 1 , Xin Liu 2 , Jing Lu 2 , Li-Ming Wu 2 , Ling Chen 1
Affiliation
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Over recent decades, guided by the anionic group theory of nonlinear optical (NLO) materials, rational design strategies have been primarily focused on anionic moieties; consequently, structural modification and design of cationic moieties have long been neglected. Herein, we report a strategy for the coordination of cationic moieties that substantially enhances the optical properties of NLO materials. For an example with well-known crystal structure, [Ag(NH3)2]2SO4, we demonstrate that the coordination of the Ag+ cation by the neutral ligand drives the formation of a noncentrosymmetric tetragonal P
21c structure as a positive uniaxial crystal. The bending of the [Ag(NH3)2]+ cationic moiety parallel to the z-axis generates an anisotropic arrangement of the dipoles, i.e., a dipole of 0.12 D along the z-direction, yet zero dipole in the xy-plane, which interacts anisotropically with the incident light oscillating electromagnetic wave, leading to optical anisotropy with a large birefringence. The incident beam of 589.3 nm normal to the (110) crystal plane measures Δnobv.=0.08, and [Ag(NH3)2]2SO4 also exhibits a phase-matching NLO response 1.4 times that of KH2PO4 (KDP) (obv. 1.4×KDP @1064 nm; cal. d36=1.50 pm V−1).
中文翻译：
[Ag(NH3)2]2SO4：一种协调阳离子部分以设计非线性光学材料的策略**
近几十年来，在非线性光学 (NLO) 材料的阴离子群论指导下，合理的设计策略主要集中在阴离子部分；因此，阳离子部分的结构修饰和设计长期以来一直被忽视。在此，我们报告了一种阳离子部分的配位策略，可显着增强 NLO 材料的光学性能。对于具有众所周知的晶体结构 [Ag(NH 3 ) 2 ] 2 SO 4 的示例，我们证明了中性配体对 Ag +阳离子的配位驱动了非中心对称四方P
2 1 c 的形成结构为正单轴晶体。[Ag(NH 3 ) 2 ] +阳离子部分平行于z轴的弯曲产生了偶极子的各向异性排列，即沿z方向的偶极子为 0.12 D ，而在xy平面中偶极子为零，其与入射光振荡电磁波各向异性相互作用，导致具有大双折射的光学各向异性。垂直于 (110) 晶面的 589.3 nm 入射光束测量Δn obv。=0.08，[Ag(NH 3 ) 2 ] 2 SO 4还表现出相位匹配 NLO 响应是 KH 2 PO 4 (KDP) 的1.4 倍（obv . 1.4×KDP @1064 nm；cal. d 36 =1.50 pm V -1）。
更新日期：2021-09-14
21c structure as a positive uniaxial crystal. The bending of the [Ag(NH3)2]+ cationic moiety parallel to the z-axis generates an anisotropic arrangement of the dipoles, i.e., a dipole of 0.12 D along the z-direction, yet zero dipole in the xy-plane, which interacts anisotropically with the incident light oscillating electromagnetic wave, leading to optical anisotropy with a large birefringence. The incident beam of 589.3 nm normal to the (110) crystal plane measures Δnobv.=0.08, and [Ag(NH3)2]2SO4 also exhibits a phase-matching NLO response 1.4 times that of KH2PO4 (KDP) (obv. 1.4×KDP @1064 nm; cal. d36=1.50 pm V−1).
中文翻译：
[Ag(NH3)2]2SO4：一种协调阳离子部分以设计非线性光学材料的策略**
近几十年来，在非线性光学 (NLO) 材料的阴离子群论指导下，合理的设计策略主要集中在阴离子部分；因此，阳离子部分的结构修饰和设计长期以来一直被忽视。在此，我们报告了一种阳离子部分的配位策略，可显着增强 NLO 材料的光学性能。对于具有众所周知的晶体结构 [Ag(NH 3 ) 2 ] 2 SO 4 的示例，我们证明了中性配体对 Ag +阳离子的配位驱动了非中心对称四方P
2 1 c 的形成结构为正单轴晶体。[Ag(NH 3 ) 2 ] +阳离子部分平行于z轴的弯曲产生了偶极子的各向异性排列，即沿z方向的偶极子为 0.12 D ，而在xy平面中偶极子为零，其与入射光振荡电磁波各向异性相互作用，导致具有大双折射的光学各向异性。垂直于 (110) 晶面的 589.3 nm 入射光束测量Δn obv。=0.08，[Ag(NH 3 ) 2 ] 2 SO 4还表现出相位匹配 NLO 响应是 KH 2 PO 4 (KDP) 的1.4 倍（obv . 1.4×KDP @1064 nm；cal. d 36 =1.50 pm V -1）。
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