外文题目: Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties
作者: Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi
刊名: Inorg. Chem. Front.
年: 2017 卷: 4 期: 4 页： 692--700
英文关键词:

2ND-HARMONIC GENERATION RESPONSE; BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURES; REACTION SYSTEMS; ANIONIC GROUP; LEAD BORATE; PH VALUES; UNITS; SERIES; SUBSTITUTION
英文摘要:
The mixed-alkali-metal borates NaK(B5O8)(OH)center dot H2O(1), NaK6[(B4O5)(OH)(4)](3)(OH)center dot C2H5OH(2) and Na0.33K1.67(B4O5)(OH)(4)center dot 3H(2)O(3) have been solvothermally synthesized using various polar organic solvents. Compounds 1 and 2 crystallize in the centrosymmetric space groups P (1) over bar and R (3) over barc, respectively. The structure of 1 features a 2D-layered framework constructed by [B5O11](7-) primary building units in the ab plane, extending to a 3D framework linked by K+ and Na+ cations, while the structure of 2 can be described as isolated [B4O9](6-) primary building units connected by H-bonding interactions and K-O and Na-O bonds, forming a 3D supramolecular framework. Compound 3 crystallizes in the acentric space group P (6) over bar 2c, and its UV nonlinear optical properties have been investigated for the first time. Second-harmonic generation(SHG) measurements show that 3 is type-I phase-matching, with a moderate SHG response ca. 0.94 times that of KH2PO4. The cut-off edge of 3 is 242 nm, which suggests that 3 is a potential UV NLO material. Density functional theory calculations have been employed on 3 to rationalize its band structure and electron density as well as the density of states.


文献类型: 期刊论文
正文语种: English
收录类别: SCI
DOI: 10.1039/c7qi00001d


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