Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides

Mengjia Luo; Kejun Bu; Yiting Liu; Ruiqi Wang; Xian Zhang; Chong Zheng; Qingyuan Jin; Xiaolei Zhang; Fuqiang Huang

doi:10.1016/j.jssc.2019.06.016

Synthesis, crystal structure, and optical properties of Ba₂SbO₂SX (X = Br, I) oxy-chalcohalides

Mengjia Luo, Kejun Bu, Yiting Liu, Ruiqi Wang, Xian Zhang, Chong Zheng, Qingyuan Jin, Xiaolei Zhang, Fuqiang Huang

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

4 Scopus citations

Abstract

Two isostructural compounds, Ba₂SbO₂SX (X = Br, I), have been successfully synthesized via solid state reaction. Their structures belong to the space group C_2h ²-P21/m (No. 11) of the monoclinic system. They feature a quasi-two-dimensional (2D) network of distorted capped trigonal prisms [XBa₇]¹³⁺ along the a-b plane intercalated by [SbSO₂]^3- triangular pyramid. The optical band gaps of Ba₂SbO₂SBr and Ba₂SbO₂SI are 1.93 eV ad 2.03 eV, respectively. Ba₂SbO₂SI also exhibits an emission peak at 579 nm under 375 nm radiation. First-principles calculation reveals that the optical absorptions of Ba₂SbO₂SX are mainly attributed to the S-3p→Sb-5p transitions. The photoluminescence emission of Ba₂SbO₂SI is mainly contributed by the excitation of the states of the Sb−S bonds.

Original language	English
Article number	120811
Journal	Journal of Solid State Chemistry
Volume	278
DOIs	https://doi.org/10.1016/j.jssc.2019.06.016
State	Published - Oct 2019
Externally published	Yes

Keywords

Fluorescence
New compound
Oxy-chalcohalide

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10.1016/j.jssc.2019.06.016

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@article{730d480a2c2548fc930e58e5cc83b6cc,

title = "Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides",

abstract = "Two isostructural compounds, Ba2SbO2SX (X = Br, I), have been successfully synthesized via solid state reaction. Their structures belong to the space group C2h 2-P21/m (No. 11) of the monoclinic system. They feature a quasi-two-dimensional (2D) network of distorted capped trigonal prisms [XBa7]13+ along the a-b plane intercalated by [SbSO2]3- triangular pyramid. The optical band gaps of Ba2SbO2SBr and Ba2SbO2SI are 1.93 eV ad 2.03 eV, respectively. Ba2SbO2SI also exhibits an emission peak at 579 nm under 375 nm radiation. First-principles calculation reveals that the optical absorptions of Ba2SbO2SX are mainly attributed to the S-3p→Sb-5p transitions. The photoluminescence emission of Ba2SbO2SI is mainly contributed by the excitation of the states of the Sb−S bonds.",

keywords = "Fluorescence, New compound, Oxy-chalcohalide",

author = "Mengjia Luo and Kejun Bu and Yiting Liu and Ruiqi Wang and Xian Zhang and Chong Zheng and Qingyuan Jin and Xiaolei Zhang and Fuqiang Huang",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

month = oct,

doi = "10.1016/j.jssc.2019.06.016",

language = "英语",

volume = "278",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides

AU - Luo, Mengjia

AU - Bu, Kejun

AU - Liu, Yiting

AU - Wang, Ruiqi

AU - Zhang, Xian

AU - Zheng, Chong

AU - Jin, Qingyuan

AU - Zhang, Xiaolei

AU - Huang, Fuqiang

PY - 2019/10

Y1 - 2019/10

N2 - Two isostructural compounds, Ba2SbO2SX (X = Br, I), have been successfully synthesized via solid state reaction. Their structures belong to the space group C2h 2-P21/m (No. 11) of the monoclinic system. They feature a quasi-two-dimensional (2D) network of distorted capped trigonal prisms [XBa7]13+ along the a-b plane intercalated by [SbSO2]3- triangular pyramid. The optical band gaps of Ba2SbO2SBr and Ba2SbO2SI are 1.93 eV ad 2.03 eV, respectively. Ba2SbO2SI also exhibits an emission peak at 579 nm under 375 nm radiation. First-principles calculation reveals that the optical absorptions of Ba2SbO2SX are mainly attributed to the S-3p→Sb-5p transitions. The photoluminescence emission of Ba2SbO2SI is mainly contributed by the excitation of the states of the Sb−S bonds.

AB - Two isostructural compounds, Ba2SbO2SX (X = Br, I), have been successfully synthesized via solid state reaction. Their structures belong to the space group C2h 2-P21/m (No. 11) of the monoclinic system. They feature a quasi-two-dimensional (2D) network of distorted capped trigonal prisms [XBa7]13+ along the a-b plane intercalated by [SbSO2]3- triangular pyramid. The optical band gaps of Ba2SbO2SBr and Ba2SbO2SI are 1.93 eV ad 2.03 eV, respectively. Ba2SbO2SI also exhibits an emission peak at 579 nm under 375 nm radiation. First-principles calculation reveals that the optical absorptions of Ba2SbO2SX are mainly attributed to the S-3p→Sb-5p transitions. The photoluminescence emission of Ba2SbO2SI is mainly contributed by the excitation of the states of the Sb−S bonds.

KW - Fluorescence

KW - New compound

KW - Oxy-chalcohalide

UR - https://www.scopus.com/pages/publications/85070327271

U2 - 10.1016/j.jssc.2019.06.016

DO - 10.1016/j.jssc.2019.06.016

M3 - 文章

AN - SCOPUS:85070327271

SN - 0022-4596

VL - 278

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

M1 - 120811

ER -

Synthesis, crystal structure, and optical properties of Ba₂SbO₂SX (X = Br, I) oxy-chalcohalides

Abstract

Keywords

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