Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX2]- coordination units and quasi-two-dimensional lone pairs.,Chemical Communications

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Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX2]- coordination units and quasi-two-dimensional lone pairs.
Chemical Communications ( IF 4.3 ) Pub Date : 2020-05-05 , DOI: 10.1039/d0cc01532f
Qi Wu ₁ , Xian Liu ₁ , Yeshuang Du ₁ , Chunlin Teng ₁ , Fei Liang ₂

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Organic-inorganic halide hybrids are rapidly gaining increased attention owing to their remarkable optoelectronic performance. Amongst these, divalent and trivalent metal cations (Pb2+, Sn2+, Bi3+, and Sb3+) usually link to six halogen X atoms and form an asymmetric [MX6] octahedron with weak optical anisotropy. Herein, we show a first family of monovalent-metal-based hybrid halides [N(CH3)4]MCl2 (M = Ga, In) with a zero-dimensional configuration containing unprecedented linear [MX2] units. Owing to the reduced coordination number, the lone pairs on Ga+ and In+ exhibit quasi-two-dimensional distribution, thereby leading to a narrowed bandgap, enhanced optical anisotropy and strong nonlinear second harmonic response of 1.4 and 1.3 times that of benchmark KH2PO4, respectively.

中文翻译：

包含前所未有的线性[MIX2]-配位单元和准二维孤对的非线性有机-无机卤化物杂化物。

有机-无机卤化物杂化物因其卓越的光电性能而迅速受到关注。其中，二价和三价金属阳离子（Pb2 +，Sn2 +，Bi3 +和Sb3 +）通常连接六个卤素X原子，并形成光学各向异性很弱的不对称[MX6]八面体。在这里，我们显示了第一族基于单价金属的混合卤化物[N（CH3）4] MCl2（M = Ga，In），具有零维结构，其中包含空前的线性[MX2]单元。由于配位数减少，Ga +和In +上的孤对表现出准二维分布，从而导致带隙变窄，光学各向异性增强和强二次谐波响应，分别是基准KH2PO4的1.4和1.3倍。

更新日期：2020-03-23

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