外文题目: Facile Syntheses of Ba-2[B4O7(OH)(2)] and Na[B5O7(OH)(2)](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet
作者: Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi
刊名: Inorg. Chem.
年: 2017 卷: 56 期: 3 页： 1340--1348
英文关键词:

ALKALINE BERYLLIUM BORATE; BOND-VALENCE PARAMETERS; AUGMENTED-WAVE METHOD; CRYSTAL-STRUCTURE; 2ND-HARMONIC GENERATION; HYDROTHERMAL SYNTHESIS; ANIONIC GROUP; NLO CRYSTALS; UNITS; SHG
英文摘要:
Two novel noncentrosymmetric metal borates, Ba-2[B4O7(OH)(2)] (1) and Na[B5O7(OH)(2)](H2O) (2), have been obtained by hydrothermal and surfactant-thermal means. Compound 1 consists of novel one-dimensional borate chains formed by B3O9 and B3O8 rings, assembled into a three-dimensional (3D) framework by Ba2+ cations. The structure of 2 exhibits double-helical chains constructed from B5O10 primary building units, which are interconnected via Na+ cations and H-bonding interactions to generate a 3D framework. Second-harmonic-generation (SHG) measurements show that 1 shows a phase-matching powder SHG response of similar to 2.2 x KH2PO4 (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are similar to 242 and similar to 221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.


文献类型: 期刊论文
正文语种: English
收录类别: SCI
DOI: 10.1021/acs.inorgchem.6b02457


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