First Investigation of Nonlinear Optical Oxychalcogenide with Three-Dimensional Anionic Framework and Special Windmill-Like Functional Motifs  

作　　者：Jia-Nuo Li Xiao-Hui Li Ying-Xuan Xu Wenlong Liu Sheng-Ping Guo 

机构地区：[1]School of Chemistry and Chemical Engineering,Yangzhou University,Yangzhou,Jiangsu,225002 China

出　　处：《Chinese Journal of Chemistry》2022年第20期2407-2414,共8页中国化学（英文版）

基　　金：support by the National Natural Science Foundation of China(21771159,22071212);Qinglan Project of Jiangsu Province of China.

摘　　要：Oxychalcogenides have been drawn much attention to be explored as nonlinear optical(NLO)materials in recent years.To date,all the NLO oxychalcogenides crystallize in low dimensional structures.Herein,a new oxysulfide K_(2)Ba_(0.5)Ga_(9)O_(2)S_(13) was obtained via three-dimensional(3D){[Ga_(9)O_(2)S_(13)]^(3-)}_(∞)polyanionic framework.As the first oxychalcogenide with 3D NLO-acitve polyanionic framework,K_(2)Ba_(0.5)Ga_(9)O_(2)S_(13) has a wide band gap of 3.72 eV,and exhibits a high laser-induced damage threshold(LIDT,17×AgGaS_(2)).It presents moderate phase-matchable NLO response of 0.5×AgGaS_(2) at 2.1μm and 2×KH_(2)PO_(4) at 1.064μm.The theoretical calculation results indicate that the NLO response is mainly contributed from[Ga(2)S4]unit-built[Ga(2)_(3)S_(10)]windmill-like motif.This work may stimulate the exploration of more NLO oxychalcogenides with balanced performances.

关 键 词：OXYSULFIDE Structural chemistry Nonlinear optics Structure-activity relationships Solid-phase reactions 

分 类 号：O62[理学—有机化学]