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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
Source PublicationCHEMICAL PHYSICS LETTERS
Volume636Pages:97-102
SubtypeArticle
AbstractAs 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.
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordAQUEOUS-SOLUTION ; AB-INITIO ; PENTABORATE SOLUTION ; METAL-IONS ; DYNAMICS ; BORATE ; DFT ; RAMAN
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000361649900017
Citation statistics
Document Type期刊论文
Identifierhttp://ir.isl.ac.cn/handle/363002/6156
Collection青海盐湖研究所知识仓储
盐湖资源与化学实验室
Affiliation1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
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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