Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

Chao Wu; Longhua Li; Junling Song; Gang Yang; Mark G. Humphrey; Chi Zhang

doi:10.1021/acs.inorgchem.6b02457

Facile Syntheses of Ba₂[B₄O₇(OH)₂] and Na[B₅O₇(OH)₂](H₂O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

Chao Wu, Longhua Li, Junling Song, Gang Yang, Mark G. Humphrey, Chi Zhang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

47 Citations (Scopus)

Abstract

Two novel noncentrosymmetric metal borates, Ba₂[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 ∼2.2 × KH₂PO₄ (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are ∼242 and ∼221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.

Original language	English
Pages (from-to)	1340-1348
Number of pages	9
Journal	Inorganic Chemistry
Volume	56
Issue number	3
DOIs	https://doi.org/10.1021/acs.inorgchem.6b02457
Publication status	Published - 6 Feb 2017

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title = "Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet",

abstract = "Two novel noncentrosymmetric metal borates, Ba2[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 ∼2.2 × KH2PO4 (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are ∼242 and ∼221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.",

author = "Chao Wu and Longhua Li and Junling Song and Gang Yang and Humphrey, \{Mark G.\} and Chi Zhang",

note = "Publisher Copyright: {\textcopyright} 2017 American Chemical Society.",

year = "2017",

month = feb,

day = "6",

doi = "10.1021/acs.inorgchem.6b02457",

language = "English",

volume = "56",

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T1 - Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

AU - Wu, Chao

AU - Li, Longhua

AU - Song, Junling

AU - Yang, Gang

AU - Humphrey, Mark G.

AU - Zhang, Chi

PY - 2017/2/6

Y1 - 2017/2/6

N2 - Two novel noncentrosymmetric metal borates, Ba2[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 ∼2.2 × KH2PO4 (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are ∼242 and ∼221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.

AB - Two novel noncentrosymmetric metal borates, Ba2[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 ∼2.2 × KH2PO4 (KDP), while 2 exhibits a weak SHG response. The cutoff edges of 1 and 2 are ∼242 and ∼221 nm, respectively, which suggests that they are potential ultraviolet nonlinear optical (NLO) materials. Band structures and NLO properties have also been theoretically studied.

UR - https://www.scopus.com/pages/publications/85012024672

U2 - 10.1021/acs.inorgchem.6b02457

DO - 10.1021/acs.inorgchem.6b02457

M3 - Article

SN - 0020-1669

VL - 56

SP - 1340

EP - 1348

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 3

ER -

Facile Syntheses of Ba₂[B₄O₇(OH)₂] and Na[B₅O₇(OH)₂](H₂O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

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