4-Methylpyridinium bismuth(III) halides

被引：0
|
作者：
Buikin, Petr A. [1 ,2 ]
Lunkov, Ivan S. [1 ,2 ]
Ilyukhin, Andrey B. [2 ]
Kotov, Vitalii Yu. [1 ,2 ]
机构：
[1] HSE Univ, Moscow 101000, Russia
[2] Russian Acad Sci, NS Kurnakov Inst Gen & Inorgan Chem, Moscow 119991, Russia
来源：
POLYHEDRON | 2024年 / 264卷
关键词：
Crystal structure; Solid solution; Halobismuthates; 4-methylpyridinium; DFT; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; HYBRID HALOBISMUTHATES; CHAINS;
D O I：
10.1016/j.poly.2024.117223
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Solid solutions of 4-methylpyridinium bromoiodobismuthates have been isolated from aqueous solutions and structurally characterized. It was found that the composition of the resulting solid solutions [PiH]4Bi2X10, [PiH] BiX4, and [PiH]3Bi2X9 (PiH = 4-methylpyridinium; X = Br, I) depends on the ratio of organic cation/bismuth and bromine/iodine in the initial solution. The existence of two polymorphic modifications of [PiH]BiX4 in the system formed at different ratios of halide ions has been demonstrated. Possible reasons for the unequal occupation of halogen positions in the crystal lattice by different halogen atoms are analyzed.
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页数：7
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