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Preparation, Structure, and Second-order Nonlinear Optical Properties of a Borate-Carboxylic Acid Compound: NH4B[d-(+)-C4H4O5]2·H2O

Authors

  • Zhaohui Chen,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    2. Physical and Chemical Testing Center, Xinjiang University, Urumqi 830046, P. R. China
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  • Shilie Pan,

    Corresponding author
    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    • Shilie Pan, Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China, Fax: +86-991-3838957

      Zhihua Yang, Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China

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  • Qun Jing,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    2. University of Chinese Academy of Sciences, Beijing 100049, P. R. China
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  • Yun Yang,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
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  • Xiaoyu Dong,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    2. University of Chinese Academy of Sciences, Beijing 100049, P. R. China
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  • Qiang Bian,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    2. University of Chinese Academy of Sciences, Beijing 100049, P. R. China
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  • Jian Han,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
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  • Lingyun Dong,

    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    2. University of Chinese Academy of Sciences, Beijing 100049, P. R. China
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  • Zhihua Yang

    Corresponding author
    1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China
    • Shilie Pan, Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China, Fax: +86-991-3838957

      Zhihua Yang, Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40–1 South Beijing Road, Urumqi 830011, P. R. China

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  • Supporting Information for this article is available on the WWW under http://dx.doi.org/10.1002/zaac.201300202 or from the author.

Abstract

The organic-inorganic hybrid nonlinear optical (NLO) material NH4B(d-(+)-C4H4O5)2·H2O (NBC) was synthesized in a borate-carboxylic acid system. Its structure was determined by single crystal X-ray diffraction. It crystallizes in the orthorhombic system, space group Pna21 (No. 33), with cell parameters a = 11.484(6) Å, b = 5.354(3) Å, c = 21.079(12) Å, V = 1296.0(12), Z = 4. It exhibits a three-dimensional pseudo tunnel structure consisting of fundamental building block [B(d-(+)-C4H4O5)2] anions. The small cavities are occupied by the H2O molecules and NH4+ cations, which stabilize the whole structure by O–H···O and N–H···O hydrogen bonds. The powder X-ray diffraction (PXRD) of the crystal was also recorded. Elemental analyses, FT-IR and FT-Raman spectra analyses, thermal analysis, and diffuse-reflectance spectra for the compound are also presented, as are band structures and density of states calculation. Nonlinear optical measurements indicate that the material has second harmonic generation (SHG) properties and is phase-matchable.

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