Polyborates in aqueous borate solution: A Raman and DFT theoryinvestigation
文献类型：期刊论文
| 作者 | Fang, Chunhui ; Fang, Yan; Zhou, Yongquan; Zhu, Fayan
|
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2011 |
| 卷号 | 83期号:1页码:82-87 |
| 关键词 | BORIC-ACID FT-IR SPECTROSCOPIC ANALYSIS SODIUM PENTABORATE IONS EQUILIBRIA SHIFTS |
| ISSN号 | 1386-1425 |
| 中文摘要 | The geometries, energies and vibrational frequencies of various polyborates in both gaseous and aqueous phase were calculated at the B3LYP/aug-cc-pVDZ level. The calculated total symmetrical stretching Raman shifts of B(OH)(3), B(OH)(4)(-), B(2)O(OH)(4), B(2)O(OH)(5)(-), B(2)O(OH)(6)(2-), B(3)O(3)(OH)(3), B(3)O(3)(OH)(4)(-), B(3)O(3)(OH)(5)(2-), B(3)O(3)(OH)(6)(3-), B(4)O(5)(OH)(4)(2-) and B(5)O(6)(OH)(4)(-) were assigned to 877.40, 735.33, 785.22, 792.90, 696.79, 587.72, 599.06, 740.16, 705.01, 551.67 and 521.04 cm(-1), respectively. The results can be used as the characteristic frequency for polyborates in aqueous phase at room temperature. At least six types of polyborates B(OH)(3), B(OH)(4)(-), B(3)O(3)(OH)(4)(-), B(3)O(3)(OH)(5)(2-), B(4)O(5)(OH)(4)(2-) and B(5)O(6)(OH)(4)(-), occur in aqueous solutions at ambient temperature. The chemical species distribution and the relevant interaction mechanisms among polyborates in the solutions were also suggested. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved. |
| 英文摘要 | 英文摘要 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-07-01 |
| 源URL | [http://ir.isl.ac.cn/handle/363002/1846]  |
| 专题 | 青海盐湖研究所_盐湖资源与化学实验室 中国科学院青海盐湖研究所 |
| 推荐引用方式 GB/T 7714 | Fang, Chunhui,Fang, Yan,Zhou, Yongquan,et al. Polyborates in aqueous borate solution: A Raman and DFT theoryinvestigation[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2011,83(1):82-87. |
| APA | Fang, Chunhui,Fang, Yan,Zhou, Yongquan,&Zhu, Fayan.(2011).Polyborates in aqueous borate solution: A Raman and DFT theoryinvestigation.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,83(1),82-87. |
| MLA | Fang, Chunhui,et al."Polyborates in aqueous borate solution: A Raman and DFT theoryinvestigation".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 83.1(2011):82-87. |
入库方式： OAI收割
来源：青海盐湖研究所
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