CAS OpenIR  > 中科院上海应用物理研究所2011-2018年
Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT)
Liu, ST; Su, T; Cheng, JH; An, XH; Zhang, P; Liu, HT; Yao, SD; Xie, LD; Hou, HQ
2017
Source PublicationJOURNAL OF MOLECULAR LIQUIDS
ISSN0167-7322
Volume242Issue:-Pages:1052-1057
Subtype期刊论文
AbstractFLiBe (2LiF-BeF2) molecular structure was investigated by infrared (IR) absorption spectroscopy combined with density functional theory (DFT) calculations. An instrument was designed and implemented to obtain the in situ IR absorption spectra of molten FLiBe salt. IR absorption spectrum of molten FLiBe salt was obtained at 600 degrees C and the spectra assignment were aided with the density functional theory (DFT) calculations, which indicated that liquid FLiBe salt can form fluoberyllate of [BeF4](2-). The IR spectrum of FLiBe powder acquired at room temperature furthers to imply that [BeF4](2-) was formed and combined with two Li+ to make neutral molecule of Li2BeF4. Based on the geometry optimization, absorption peaks were also assigned and detailed vibration information was supplied. 2017 Elsevier B.V. All rights reserved.
KeywordRaman-spectra Vibrational-spectra Reflection Spectra Fluoride Salts Ir Reactor Chemistry Nitrates Lif-bef2 Liquids
DOI10.1016/j.molliq.2017.07.051
WOS KeywordRAMAN-SPECTRA ; VIBRATIONAL-SPECTRA ; REFLECTION SPECTRA ; FLUORIDE SALTS ; IR ; REACTOR ; CHEMISTRY ; NITRATES ; LIF-BEF2 ; LIQUIDS
Indexed BySCI
Language英语
WOS IDWOS:000412607300119
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/28711
Collection中科院上海应用物理研究所2011-2018年
Recommended Citation
GB/T 7714
Liu, ST,Su, T,Cheng, JH,et al. Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT)[J]. JOURNAL OF MOLECULAR LIQUIDS,2017,242(-):1052-1057.
APA Liu, ST.,Su, T.,Cheng, JH.,An, XH.,Zhang, P.,...&Hou, HQ.(2017).Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT).JOURNAL OF MOLECULAR LIQUIDS,242(-),1052-1057.
MLA Liu, ST,et al."Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT)".JOURNAL OF MOLECULAR LIQUIDS 242.-(2017):1052-1057.
Files in This Item: Download All
File Name/Size DocType Version Access License
Investigation on mol(715KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, ST]'s Articles
[Su, T]'s Articles
[Cheng, JH]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, ST]'s Articles
[Su, T]'s Articles
[Cheng, JH]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, ST]'s Articles
[Su, T]'s Articles
[Cheng, JH]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT).pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.