Microscopic Insights into Extraction Mechanism of Copper(II) in Ammoniacal Solutions Studied by X-ray Absorption Spectroscopy and Density Functional Theory Calculation
文献类型：期刊论文
| 作者 | Hu, Jiugang ; Chen, Qiyuan ; Hu, Huiping ; Jiang, Zheng（姜政） ; Wang, Duo ; Wang, Shubin ; Li, Yaomin |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2013 |
| 卷号 | 117期号:47页码:CONCATENATE(Sheet1!I210,-Sheet1!J210) |
| ISSN号 | 1089-5639 |
| 英文摘要 | A microscopic investigation on the extraction process of copper(II) in ammoniacal solutions has been performed by X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculation. The structural change of copper(II) species in ammoniacal solution has been derived from X-ray absorption near-edge spectroscopy (XANES) by principal component analysis and linear combination fitting. It was found that the coordination structure of the extracted copper complex in the organic phases is planar square and independent of the aqueous pH, whereas the geometries of copper(II) species in ammoniacal solutions changed from axially elongated octahedron to distorted planar square with increase of pH. The coordination geometry and structural parameters of copper(II) species were further obtained by extended X-ray absorption fine structure (EXAFS) fitting and DFT calculation with the B3LYP functional. These results reveal that the formation of tetracoordinated copper(II) ammine species can evidently inhibit the copper extraction reaction. Thus, the extraction mechanism of copper(II) in ammoniacal solutions has been elucidated in view of the microscopic structural aspects of copper species in both organic phase and ammoniacal solutions. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000327812800010 |
| 公开日期 | 2014-06-13 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/13820]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Hu, Jiugang,Chen, Qiyuan,Hu, Huiping,et al. Microscopic Insights into Extraction Mechanism of Copper(II) in Ammoniacal Solutions Studied by X-ray Absorption Spectroscopy and Density Functional Theory Calculation[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2013,117(47):CONCATENATE(Sheet1!I210,-Sheet1!J210). |
| APA | Hu, Jiugang.,Chen, Qiyuan.,Hu, Huiping.,Jiang, Zheng.,Wang, Duo.,...&Li, Yaomin.(2013).Microscopic Insights into Extraction Mechanism of Copper(II) in Ammoniacal Solutions Studied by X-ray Absorption Spectroscopy and Density Functional Theory Calculation.JOURNAL OF PHYSICAL CHEMISTRY A,117(47),CONCATENATE(Sheet1!I210,-Sheet1!J210). |
| MLA | Hu, Jiugang,et al."Microscopic Insights into Extraction Mechanism of Copper(II) in Ammoniacal Solutions Studied by X-ray Absorption Spectroscopy and Density Functional Theory Calculation".JOURNAL OF PHYSICAL CHEMISTRY A 117.47(2013):CONCATENATE(Sheet1!I210,-Sheet1!J210). |
入库方式： OAI收割
来源：上海应用物理研究所
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