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[C(NH2)3]BiCl2SO4: an excellent birefringent material obtained by multifunctional group synergy
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2022-09-07 , DOI: 10.1039/d2qi01675c
Xuehua Dong 1 , Zhizhuan Zhang 2 , Ling Huang 1 , Guohong Zou 2
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2022-09-07 , DOI: 10.1039/d2qi01675c
Xuehua Dong 1 , Zhizhuan Zhang 2 , Ling Huang 1 , Guohong Zou 2
Affiliation
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Herein, a multifunctional group synergistic strategy was proposed to develop an excellent organic–inorganic hybrid guanidine sulfate material [C(NH2)3]BiCl2SO4 (GuBiCl2SO4), which was constructed with three types of functional groups including planar triangle π-conjugated [C(NH2)3]+ cations, [BiCl2O4]7− anion polyhedra with stereochemical-active lone pairs and [SO4]2− tetrahedra. GuBiCl2SO4 possesses a large birefringence (0.143@546 nm), much larger than those of other representative Bi-based/Gu-based compounds containing tetrahedral anionic birefringent crystals. Interestingly, the title compound also displays light-blue emission, which indicates that it is an outstanding bifunctional optical material. The computational analysis revealed that the broadband emission of GuBiCl2SO4 can be attributed to charge transitions from organic [C(NH2)3]+ cations to [BiCl2O4]7− anion polyhedra and the large birefringence stems from the cooperative effect of the planar triangle π-conjugated [C(NH2)3]+ cations, [BiCl2O4]7− anion polyhedra and [SO4]2− distorted tetrahedra.
中文翻译:
[C(NH2)3]BiCl2SO4:通过多官能团协同作用获得的优异双折射材料
在此,本文提出了一种多功能基团协同策略,以开发一种优异的有机-无机杂化硫酸胍材料[C(NH 2 ) 3 ]BiCl 2 SO 4 (GuBiCl 2 SO 4 ),该材料由平面等三种官能团构成。三角形π-共轭[C(NH 2 ) 3 ] +阳离子,[BiCl 2 O 4 ] 7-阴离子多面体,具有立体化学活性孤对和[SO 4 ] 2-四面体。GuBiCl 2 SO 4具有较大的双折射(0.143@546 nm),远大于其他含有四面体阴离子双折射晶体的代表性Bi基/Gu基化合物。有趣的是,标题化合物还显示出淡蓝色发射光,这表明它是一种出色的双功能光学材料。计算分析表明,GuBiCl 2 SO 4的宽带发射可以归因于从有机[C(NH 2 ) 3 ] +阳离子到[BiCl 2 O 4 ] 7-阴离子多面体的电荷跃迁,并且大的双折射源于协同作用。平面三角形π共轭[C(NH 2 )的影响3 ] +阳离子、[BiCl 2 O 4 ] 7-阴离子多面体和[SO 4 ] 2-扭曲四面体。
更新日期:2022-09-07
中文翻译:

[C(NH2)3]BiCl2SO4:通过多官能团协同作用获得的优异双折射材料
在此,本文提出了一种多功能基团协同策略,以开发一种优异的有机-无机杂化硫酸胍材料[C(NH 2 ) 3 ]BiCl 2 SO 4 (GuBiCl 2 SO 4 ),该材料由平面等三种官能团构成。三角形π-共轭[C(NH 2 ) 3 ] +阳离子,[BiCl 2 O 4 ] 7-阴离子多面体,具有立体化学活性孤对和[SO 4 ] 2-四面体。GuBiCl 2 SO 4具有较大的双折射(0.143@546 nm),远大于其他含有四面体阴离子双折射晶体的代表性Bi基/Gu基化合物。有趣的是,标题化合物还显示出淡蓝色发射光,这表明它是一种出色的双功能光学材料。计算分析表明,GuBiCl 2 SO 4的宽带发射可以归因于从有机[C(NH 2 ) 3 ] +阳离子到[BiCl 2 O 4 ] 7-阴离子多面体的电荷跃迁,并且大的双折射源于协同作用。平面三角形π共轭[C(NH 2 )的影响3 ] +阳离子、[BiCl 2 O 4 ] 7-阴离子多面体和[SO 4 ] 2-扭曲四面体。