Zixiu Lu , Chen Zhang , Qile Liang , Xuming Mei , Chunhui Duan , Jiaxing Wang
{"title":"一种无机-有机混合 KBBF 型咪唑硼酸锌配合物：一种前景看好的非线性光学晶体","authors":"Zixiu Lu , Chen Zhang , Qile Liang , Xuming Mei , Chunhui Duan , Jiaxing Wang","doi":"10.1016/j.molstruc.2025.141936","DOIUrl":null,"url":null,"abstract":"<div><div>An inorganic-organic hybrid zinc borate, Zn<sub>2</sub>(BO₃)(C₄H₅N₂) (<strong>1</strong>), was synthesized through a straight forward solvothermal transformation process, utilizing metal-organic frameworks (MOFs) as self-sacrificial templates. As a distinguished member of the KBe₂BO₃F₂ (KBBF) family, <strong>1</strong> exhibits a unique and infinite layer, [Zn₂(BO₃)N₂]<sub>∞</sub>, composed of [BO₃] and [ZnO₃N] groups. These interconnected layers of [Zn₂(BO₃)N₂]<sub>∞</sub> are elegantly bridged by deprotonated 2-methylimidazole ligands, forming a 3D network. Notably, it exhibits a relatively large second-harmonic-generation response of about 1.0 times that of KDP and large birefringence of 0.11@1064 nm. The optical properties are mainly derived from the synergistic effect of the co-planar arrangement of [BO<sub>3</sub>] and the nonlinear polarization ligand 2-methylimidazole. Our strategy may provide a new way to designing high-performance NLO materials.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1335 ","pages":"Article 141936"},"PeriodicalIF":4.0000,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An Inorganic−Organic Hybrid KBBF-Type Zinc Borate Imidazole Complex: A Promising Nonlinear-Optical Crystal\",\"authors\":\"Zixiu Lu , Chen Zhang , Qile Liang , Xuming Mei , Chunhui Duan , Jiaxing Wang\",\"doi\":\"10.1016/j.molstruc.2025.141936\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>An inorganic-organic hybrid zinc borate, Zn<sub>2</sub>(BO₃)(C₄H₅N₂) (<strong>1</strong>), was synthesized through a straight forward solvothermal transformation process, utilizing metal-organic frameworks (MOFs) as self-sacrificial templates. As a distinguished member of the KBe₂BO₃F₂ (KBBF) family, <strong>1</strong> exhibits a unique and infinite layer, [Zn₂(BO₃)N₂]<sub>∞</sub>, composed of [BO₃] and [ZnO₃N] groups. These interconnected layers of [Zn₂(BO₃)N₂]<sub>∞</sub> are elegantly bridged by deprotonated 2-methylimidazole ligands, forming a 3D network. Notably, it exhibits a relatively large second-harmonic-generation response of about 1.0 times that of KDP and large birefringence of 0.11@1064 nm. The optical properties are mainly derived from the synergistic effect of the co-planar arrangement of [BO<sub>3</sub>] and the nonlinear polarization ligand 2-methylimidazole. Our strategy may provide a new way to designing high-performance NLO materials.</div></div>\",\"PeriodicalId\":16414,\"journal\":{\"name\":\"Journal of Molecular Structure\",\"volume\":\"1335 \",\"pages\":\"Article 141936\"},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2025-03-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Structure\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022286025006222\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025006222","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
An Inorganic−Organic Hybrid KBBF-Type Zinc Borate Imidazole Complex: A Promising Nonlinear-Optical Crystal
An inorganic-organic hybrid zinc borate, Zn2(BO₃)(C₄H₅N₂) (1), was synthesized through a straight forward solvothermal transformation process, utilizing metal-organic frameworks (MOFs) as self-sacrificial templates. As a distinguished member of the KBe₂BO₃F₂ (KBBF) family, 1 exhibits a unique and infinite layer, [Zn₂(BO₃)N₂]∞, composed of [BO₃] and [ZnO₃N] groups. These interconnected layers of [Zn₂(BO₃)N₂]∞ are elegantly bridged by deprotonated 2-methylimidazole ligands, forming a 3D network. Notably, it exhibits a relatively large second-harmonic-generation response of about 1.0 times that of KDP and large birefringence of 0.11@1064 nm. The optical properties are mainly derived from the synergistic effect of the co-planar arrangement of [BO3] and the nonlinear polarization ligand 2-methylimidazole. Our strategy may provide a new way to designing high-performance NLO materials.
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