Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F
文献类型：期刊论文
| 作者 | Liu, Lili; Yang, Yun ; Dong, Xiaoyu; Zhang, Bingbing; Wang, Ying; Yang, Zhihua; Pan, Shilie
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| 刊名 | Chemistry - A European Journal
 |
| 出版日期 | 2016 |
| 卷号 | 22期号:9页码:2944-2954 |
| 关键词 | crystal structures density functional calculations halides physical chemistry X-ray diffraction |
| 英文摘要 | Three new carbonate halides, Cs3 Pb2 (CO3 )3 I, KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F have been synthesized with hydrothermal and solid-state methods. Cs3 Pb2 (CO3 )3 I is the first product in the lead carbonate iodides family; KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F are the first two centrosymmetric compounds found in the alkaline-alkaline earth carbonate fluorides family. Cs3 Pb2 (CO3 )3 I crystallizes in a centrosymmetric space group C2/m, and exhibits a two- dimensional layered structure which is formed by [Cs4 Pb4 (CO3 )6 I2 ] double-layers consisting of [Pb2 (CO3 )3 I] single-layers bridged by the Cs atoms. KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F, which are isostructural, crystallize in a trigonal crystal system with a centric space group of R3 featuring a honeycomb-like framework. First principle calculations indicate that Cs3 Pb2 (CO3 )3 I has a moderate birefringence and explain the difference between the band gaps of the title compounds from electron structures. The effects of cations and halogens on the structures and properties of the title compounds are also discussed. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000379691100001 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4349]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | Key Laboratory of Functional Materials and Devices for Special, Environments of CAS, Xinjiang Technical Institute of Physics and Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi, P.R. China. |
| 推荐引用方式 GB/T 7714 | Liu, Lili,Yang, Yun,Dong, Xiaoyu,et al. Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F[J]. Chemistry - A European Journal,2016,22(9):2944-2954. |
| APA | Liu, Lili.,Yang, Yun.,Dong, Xiaoyu.,Zhang, Bingbing.,Wang, Ying.,...&Pan, Shilie.(2016).Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F.Chemistry - A European Journal,22(9),2944-2954. |
| MLA | Liu, Lili,et al."Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F".Chemistry - A European Journal 22.9(2016):2944-2954. |
入库方式： OAI收割
来源：新疆理化技术研究所
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