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Investigation on the Structure of a LiB3O5 -Li2Mo3O10 High-Temperature Solution for Understanding the Li2Mo3O10 Flux Behavior

文献类型：期刊论文

作者Wan, Songming1; Zheng, Guimei1,2; Yao, Yanan1,2; Zhang, Bo1,2; Qian, Xiaodong1,2; Zhao, Ying3; Hu, Zhanggui3; You, Jinglin4
刊名INORGANIC CHEMISTRY
出版日期2017-03-20
卷号56期号:6页码:3623-3630
DOI10.1021/acs.inorgchem.7b00041
文献子类Article
英文摘要LiB3O5 is the most widely used nonlinear optical crystal. Li2Mo3O10 (a nominal composition) is a typical flux used to produce large-sized and high-quality LiB3O5 crystals. The structure of the LiB3O5-Li2Mo3O10 high-temperature solution is essential to understanding the flux behavior of Li2Mo3O10 but still remains unclear. In this work, high-temperature Raman spectroscopy combined with density functional theory (DFT) was applied to study the LiB3O5-Li2Mo3O10 solution structure. Raman spectra of a LiB(3)O(5)Li(4)Mo(5)0(17)-Li2Mo4O13 polycrystalline mixture were recorded at different temperatures until the mixture melted completely. The solution structure was deduced from the spectral changes and verified by DFT calculations. When the mixture began to melt, its molybdate component first changed into the Li2Mo3O13 melt; meanwhile, the complicated molybdate groups existing in the crystalline state transformed into Mo3O102- groups, which are formed by three corner-sharing MoO3 circle divide(-)/MoO2 circle divide(2) (circle divide = bridging oxygen atom) tetrahedra. When LiB3O5 dissolved in the Li2Mo3O10 melt, the crystal structure collapsed into polymeric chains of [B3O4 circle divide(-)(2)](n). Its basic structural unit, the B3O4 circle divide(2) ring, coordinated with the Mo3O102- group to form a MoO3B3O4 circle divide(-)(2) complex and a Mo2O72- group. On the basis of the LiB3O5-Li2Mo3O10 solution structure, we discuss the LiB3O5 crystal growth mechanism and the compositional dependence of the solution viscosity.
WOS关键词LITHIUM TRIBORATE CRYSTALS ; DENSITY-FUNCTIONAL THEORY ; CHEMICAL BONDING THEORY ; RAMAN-SPECTROSCOPY ; HIGH-ENERGY ; 2ND-HARMONIC GENERATION ; AQUEOUS-SOLUTION ; REPETITION-RATE ; BOUNDARY-LAYER ; MELT STRUCTURE
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000397171100059
资助机构National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; National Natural Science Foundation of China(51372246 ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005) ; 51132005)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/33470]  
专题合肥物质科学研究院_中科院安徽光学精密机械研究所
作者单位1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Anhui Key Lab Photon Devices & Mat, Hefei 230031, Peoples R China
2.Univ Sci & Technol China, Hefei 230026, Peoples R China
3.Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100080, Peoples R China
4.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200072, Peoples R China
推荐引用方式
GB/T 7714		 Wan, Songming,Zheng, Guimei,Yao, Yanan,et al. Investigation on the Structure of a LiB3O5 -Li2Mo3O10 High-Temperature Solution for Understanding the Li2Mo3O10 Flux Behavior[J]. INORGANIC CHEMISTRY,2017,56(6):3623-3630.
APA Wan, Songming.,Zheng, Guimei.,Yao, Yanan.,Zhang, Bo.,Qian, Xiaodong.,...&You, Jinglin.(2017).Investigation on the Structure of a LiB3O5 -Li2Mo3O10 High-Temperature Solution for Understanding the Li2Mo3O10 Flux Behavior.INORGANIC CHEMISTRY,56(6),3623-3630.
MLA Wan, Songming,et al."Investigation on the Structure of a LiB3O5 -Li2Mo3O10 High-Temperature Solution for Understanding the Li2Mo3O10 Flux Behavior".INORGANIC CHEMISTRY 56.6(2017):3623-3630.

入库方式： OAI收割

来源：合肥物质科学研究院

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