Synthesis, structure, and characterization of a mixed amines thiogermanate [NH4]2[NH2(CH3)2]2Ge2S6

被引：1
作者：
Zhang, Jian-Han [1 ,2 ]
Su, Zhi-Zhong [1 ]
Luo, Ju-Xiang [1 ,4 ]
Zhao, Yi [1 ]
Wang, Hong-Gang [1 ]
Ying, Shao-Ming [3 ]
机构：
[1] Sanming Univ, Sch Resources & Chem Engn, Sanming 365004, Peoples R China
[2] State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China
[3] Ningde Normal Univ, Coll Chem & Mat, Ningde 352100, Fujian, Peoples R China
[4] Sanming Inst Fluorochem Ind, Sanming 365004, Fujian, Peoples R China
来源：
POLYHEDRON | 2020年 / 182卷
基金：
中国国家自然科学基金;
关键词：
Chalcogen; Thiogermanate; Tauc's analysis; Indirect semiconductor; Electronic structure calculation; SOLVOTHERMAL SYNTHESIS; ELECTRONIC-STRUCTURE; GERMANIUM; SULFIDE; THIOANTIMONATE; CHALCOGENIDES; COMPLEXES; SERIES;
D O I：
10.1016/j.poly.2020.114486
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A mixed amines thiogermanate, namely (NH4)(2)[NH2(CH3)(2)](2)Ge2S6 has been successfully synthesized by solvothermal reaction. Single crystal X-ray diffraction indicates the compound crystallizes in monoclinic space group P2(1)/c with the lattice parameters: a = 6.9647(14) angstrom, b = 15.719(3) angstrom, c = 7.2042(14) angstrom, beta = 92.76(3)degrees. The structure features a zero-dimensional [Ge2S6](4) anions which are separated by NH4 and [NH2(CH3)(2)](+). Hydrogen bond interactions play a crucial role in its structure formation. X-ray powder diffraction and TG-DSC measurements were performed to study its phase purity and thermal stability. UV-Vis diffuse reflectance spectroscopy coupled with Urbach fitting indicates an indirect optical transition semiconductor with a bandgap value of 3.50 eV. The result of first-principles electronic structure calculation supported the experimental indirect optical transition but the value was under estimated as 3.061 eV. Density of states and population analysis were also calculated to reveal the origin of the bandgap and bond interaction for its structure formation. (C) 2020 Elsevier Ltd. All rights reserved.
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页数：6
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