Chen Yi-Gang, Jiang Xingxing, Yang Yuanyu, Dai Zhe, Lin Zheshuai, Zhang Xian-Ming
Key Laboratory of Magnetic Molecules and Magnetic Information of Ministry of Education, School of Chemistry and Material Science, Shanxi Normal University, Taiyuan 030031, China.
Functional Crystal Group, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Chem Commun (Camb). 2022 Nov 8;58(89):12471-12474. doi: 10.1039/d2cc04631h.
π-Conjugated-group systems are fascinating and have been pursued for nonlinear materials owing to their superior optical and electronic properties, but are so far quite limited. Here, we report a new ultraviolet (UV) nonlinear-optical (NLO) beryllium borate crystal PbBeBO that manifests an unprecedented π-π interacting BeBO group, constructed by interconnected π-conjugated BeO and BO units. The PbBeBO crystal has a short UV cutoff wavelength of 249 nm, phase-matching behavior in the whole transmission region from UV to IR light region (249-3166 nm), and remarkably the largest NLO effect (18.5 × KDP) among the π-conjugated UV NLO crystal materials. Theoretical calculation unravels that the highly NLO-active BeBO group has strong π-π interactions. This work offers an innovative source of BeO-participating NLO materials and expands the frontier of NLO research.
π共轭基团体系因其优异的光学和电子性质而极具吸引力，一直被用于非线性材料的研究，但迄今为止其应用仍十分有限。在此，我们报道了一种新型的紫外（UV）非线性光学（NLO）硼酸铍晶体PbBeBO，它展现出前所未有的π-π相互作用的BeBO基团，该基团由相互连接的π共轭BeO和BO单元构成。PbBeBO晶体具有249 nm的短紫外截止波长，在从紫外到红外光区域（249 - 3166 nm）的整个透射区域内具有相位匹配特性，并且在π共轭紫外NLO晶体材料中具有显著的最大NLO效应（18.5×KDP）。理论计算表明，具有高度NLO活性的BeBO基团具有很强的π-π相互作用。这项工作提供了一种创新的参与NLO材料的BeO来源，并拓展了NLO研究的前沿领域。
