Chiral Ligand-Induced Second-Harmonic Generation Response in Helical One-Dimensional Hybrid Lead Bromides

作者：Qiao‐Feng Huang, Shufang Yan, Ying Fu, Wenlong Liu, Jiajing Wu, Sheng‐Ping Guo · 发表于：Inorganic Chemistry · 年份：2025 · DOI：10.1021/acs.inorgchem.5c01893 · 被引用次数：6 · 研究领域：Perovskite Materials and Applications、Crystal Structures and Properties、Solid-state spectroscopy and crystallography

Chiral hybrid organic–inorganic metal halides have garnered broad attention due to their unique optoelectronic properties. Here, a pair of chiral helical lead halides, ( d -/ l - pro )PbBr 3 ·H 2 O ( pro = proline), with centimeter-size has been successfully synthesized via integrating three types of functional building units including chiral amino acid ligand, ns 2 metal cations, and halide anion. Their structures are composed of one-dimensional helical {[Pb 2 Br 6 ] 2– } ∞ chains formed by face-sharing distorted [PbBr 6 ] 4– octahedra, which are separated by chiral cations and crystallize into the space group P 2 1 . They present a phase-matchable second-harmonic-generation (SHG) response and moderate birefringence. First-principles calculations elucidate that the effective SHG performances originate from the synergetic contribution of chiral cations and distorted [PbBr 6 ] 4– octahedra. This work not only enriches the structural chemistry of lead-based hybrid halides but also provides an important reference for the development of chiral metal halides.