(CNH)SbF·H₂O通过π共轭(CNH)基团的最佳排列展现出强烈的光学各向异性。
(CNH)SbF·HO Exhibiting Strong Optical Anisotropy from the Optimal Arrangement of π-Conjugated (CNH) Groups.
作者信息
Shen Yaoguo, Chen Bo, Chen Hao, Luo Junhua
机构信息
College of Physics and Electronic Information Engineering, Minjiang University, Fuzhou, Fujian 350108, China.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
出版信息
Inorg Chem. 2022 Sep 12;61(36):14242-14246. doi: 10.1021/acs.inorgchem.2c02380. Epub 2022 Aug 31.
An antimony fluoride melamine birefringent crystal, (CNH)SbF·HO, was obtained by introducing the π-conjugated delocalized melamine and antimony trifluoride via a simple aqueous solution evaporation method. It features one-dimensional parallel [CNH] chains further connected by hydrogen bonds originated from [SbF] groups with lone pairs. The experimental optical band gap (4.74 eV) allows it to be used in the ultraviolet region. The first-principles calculations suggest that (CNH)SbF·HO exhibits a large birefringence (∼0.38@550 nm), which is twice larger than that of the commercial CaCO crystal. Therefore, introducing the fluoride into π-conjugated melamine may be a good tactic to obtain birefringent crystals with large optical anisotropy.
通过简单的水溶液蒸发法引入π共轭离域三聚氰胺和三氟化锑，得到了一种氟化锑三聚氰胺双折射晶体(CNH)SbF·HO。它具有一维平行的[CNH]链，这些链通过源于带有孤对电子的[SbF]基团的氢键进一步连接。实验测得的光学带隙(4.74 eV)使其可用于紫外区域。第一性原理计算表明，(CNH)SbF·HO表现出较大的双折射(550 nm处约为0.38)，是商用CaCO晶体的两倍。因此，将氟化物引入π共轭三聚氰胺中可能是获得具有大光学各向异性双折射晶体的一种有效策略。
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