Micro-hydration and acid dissociation mechanism of B(OH)(3) | |
Zhou, Yongquan1; Fang, Yan1; Fang, Chunhui1; Zhu, Fayan1; Ge, Haiwen1; Liu, Hongyan1,2 | |
2015-09-01 | |
发表期刊 | CHEMICAL PHYSICS LETTERS |
卷号 | 636页码:97-102 |
摘要 | As a Lewis weak acid, the hydration and acid dissociation mechanisms of B(OH)(3) are still unclear. In present letter, we calculated the optimized structure, stability and Raman spectra for micro-hydrated clusters of B(OH)(3) with DFT in both gaseous and aqueous phase at B3LYP/aug-cc-pVDZ level. The stepwise micro-hydration process of B(OH)(3) were described in detailed. The micro-hydration process and Raman spectrum study indicate that the axial hydration is a "trigger" for B(OH)(3) dissociation. (C) 2015 Elsevier B.V. All rights reserved. |
语种 | 英语 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.isl.ac.cn/handle/363002/6156 |
专题 | 盐湖资源与化学实验室 中国科学院青海盐湖研究所 |
作者单位 | 1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
推荐引用方式 GB/T 7714 | Zhou, Yongquan,Fang, Yan,Fang, Chunhui,et al. Micro-hydration and acid dissociation mechanism of B(OH)(3)[J]. CHEMICAL PHYSICS LETTERS,2015,636:97-102. |
APA | Zhou, Yongquan,Fang, Yan,Fang, Chunhui,Zhu, Fayan,Ge, Haiwen,&Liu, Hongyan.(2015).Micro-hydration and acid dissociation mechanism of B(OH)(3).CHEMICAL PHYSICS LETTERS,636,97-102. |
MLA | Zhou, Yongquan,et al."Micro-hydration and acid dissociation mechanism of B(OH)(3)".CHEMICAL PHYSICS LETTERS 636(2015):97-102. |
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