Synthesis, crystal and band structures, and properties of a new supramolecular complex (Hg(2)AS)(2)(CdI4)
文献类型：期刊论文
| 作者 | H. P. Zou ; D. S. Wu ; S. P. Huang ; J. Zhu ; G. C. Guo ; J. S. Huang |
| 刊名 | Journal of Solid State Chemistry
 |
| 出版日期 | 2007-03 |
| 卷号 | 180期号:3页码:805-811 |
| 关键词 | band structure energy gap pnictide optical properties solid-state reaction supramolecular chemistry optical-properties cadmium iodide magnetic-field p-cdsb mercury framework phases polytypes anions |
| ISSN号 | 0022-4596 |
| 中文摘要 | A new quaternary supramolecular complex (Hg2As)2 (CdI4) (1) has been prepared by the solid-state reaction and structurally characterized by single crystal X-ray diffraction analysis. Compound I crystallizes in the space group P2(1) of the monoclinic system with two formula units in a cell: a = 7.945(4), b = 12.934(6), c = 8.094(4) angstrom, beta = 116.898'(1), V = 741.7(6) angstrom(3). The structure of I is characterized by a tridymite-like three-dimensional cationic framework, which is composed of mercury and arsenic atoms, with the channels being occupied by discrete CdI42- tetrahedral guest-anions. The optical properties were investigated in terms of the diffuse reflectance and Fourier transform infrared spectra. The electronic band structure along with density of states (DOS) calculated by DFT method indicates that the present compound is a semiconductor with a direct band gap, and that the optical absorption is mainly originated from the charge transitions from I-5p and As-4p to Cd-5s and Hg-6s states. (c) 2006 Elsevier Inc. All rights reserved. |
| 语种 | 英语 |
| 公开日期 | 2013-04-01 |
| 源URL | [http://ir.fjirsm.ac.cn/handle/350002/6965]  |
| 专题 | 福建物质结构研究所_中科院福建物质结构研究所_期刊论文 |
| 推荐引用方式 GB/T 7714 | H. P. Zou,D. S. Wu,S. P. Huang,et al. Synthesis, crystal and band structures, and properties of a new supramolecular complex (Hg(2)AS)(2)(CdI4)[J]. Journal of Solid State Chemistry,2007,180(3):805-811. |
| APA | H. P. Zou,D. S. Wu,S. P. Huang,J. Zhu,G. C. Guo,&J. S. Huang.(2007).Synthesis, crystal and band structures, and properties of a new supramolecular complex (Hg(2)AS)(2)(CdI4).Journal of Solid State Chemistry,180(3),805-811. |
| MLA | H. P. Zou,et al."Synthesis, crystal and band structures, and properties of a new supramolecular complex (Hg(2)AS)(2)(CdI4)".Journal of Solid State Chemistry 180.3(2007):805-811. |
入库方式： OAI收割
来源：福建物质结构研究所
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