Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(4)] droplets
文献类型：期刊论文
| 作者 | Zhu, Fayan ; Zhang, Wenqian; Liu, Hongyan; Zhou, Yongquan; Wang, Xiufang; Fang, Chunhui
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| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2020-04-05 |
| 卷号 | 230 |
| ISSN号 | 1386-1425 |
| 英文摘要 | In this study, microscopic Raman spectroscopy and Ab initio quantum chemical calculation were used to determine the structural details of ion pairs and their transformation in concentrated K[B(OH)(4)] droplets. The Raman experiment shows that the v(sym)-B(OH)(4)(-) undergoes a downward shift with the decrease of WSR. The contact ion pairs (GPs) change to solvent shared ion pairs when the molar water-to-solute ratio (WSR) is bigger than 6; CIPs are the dominant species when 1.33 < WSR < 6, where K+ bonds to [B(OH)(4)(-)] in bidentate form (CIP-II); the CIPs quickly dehydrate and associate to triple ion pairs (TIPS) when WSR < 5. Raman experiment and ab initio quantum chemical calculation show that TIPs are mainly present in anionic type such as {[B(OH)(4)(-)] K+[B(OH)(4)(-)]K+[B(OH)(4)(-)](H2O)(n)}, where K+ bonds to two [B(OH)(4)(-)] in bidentate or/and tridentate form (TIP-a-II or/and TIP-a-III). When WSR <133, most TIPs convert to complex clusters such as chain-like structure. The remaining TIPs associate to six-membered ring structure [B(OH)(4)(-)] and the relative content increases from 0 to 20% when the WSR ranges from 133 to 0.55. (C) 2020 Published by Elsevier B.V. |
| 源URL | [http://ir.isl.ac.cn/handle/363002/33994]  |
| 专题 | 青海盐湖研究所_盐湖资源与化学实验室 青海盐湖研究所_管理部门 中国科学院青海盐湖研究所 |
| 推荐引用方式 GB/T 7714 | Zhu, Fayan,Zhang, Wenqian,Liu, Hongyan,et al. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(4)] droplets[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2020,230. |
| APA | Zhu, Fayan,Zhang, Wenqian,Liu, Hongyan,Zhou, Yongquan,Wang, Xiufang,&Fang, Chunhui.(2020).Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(4)] droplets.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,230. |
| MLA | Zhu, Fayan,et al."Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(4)] droplets".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 230(2020). |
入库方式： OAI收割
来源：青海盐湖研究所
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