Micro-hydration and acid dissociation mechanism of B(OH)(3)

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	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.