Dalton Transactions
Paper
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Inorg. Chem., 2016, 55, 7817–7819.
Fig. 7 (a) Calculated band structure of Rb2SO4·SbF3; and (b) total and
partial DOS for Rb2SO4·SbF3; the fermi level is normalized to 0 eV.
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10 J. Shi, K. Wang, J. Li, H. Zeng, Q. Zhang and Z. Lin, Dalton
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verified by the overlaps of S-3s and S-3p with O-2s and O-2p
states and the overlaps of Sb-5s with Sb-5p states from −25.0
eV to 0.00 eV. It is clear that the highest valence band and the
smallest conduction band are mainly contributed by O-2p,
F-2p and Sb-5p, respectively, and the nonlinear properties of
the Rb2SO4·SbF3 compound mainly come from the contri-
bution of the [SbF3O2]4− and SO42− units.
11 P. Yu, L. M. Wu, L. J. Zhou and L. Chen, J. Am. Chem. Soc.,
2014, 136, 480–487.
12 Y. Wang, B. B. Zhang, Z. H. Yang and S. L. Pan, Angew.
Chem., Int. Ed., 2018, 57, 2150–2154.
Conclusions
13 L. Kang, S. Y. Luo, H. W. Huang, N. Ye, Z. S. Lin, J. G. Qin
and C. T. Chen, J. Phys. Chem. C, 2013, 117, 25684–25692.
14 M. Luo, F. Liang, Y. X. Song, D. Zhao, F. Xu, N. Ye and
Z. S. Lin, J. Am. Chem. Soc., 2018, 140, 3884–3887.
15 X. H. Dong, L. Huang, Q. Y. Liu, H. M. Zeng, Z. E. Lin,
D. G. Xu and G. H. Zou, Chem. Commun., 2018, 54, 5792–
5795.
16 G. H. Zou, H. Jo, S. Lim, T. You and K. M. Ok, Angew.
Chem., Int. Ed., 2018, 57, 8619–8622.
17 F. F. He, Q. Wang, M. J. Liu, L. Huang, D. J. Gao, J. Bi and
G. H. Zou, Cryst. Growth Des., 2018, 18, 4756–4765.
18 Q. Wang, F. F. He, L. Huang, D. J. Gao, J. Bi and G. H. Zou,
Cryst. Growth Des., 2018, 18, 3644–3653.
19 L. Huang, G. H. Zou, H. Q. Cai, S. C. Wang, C. S. Lin and
N. Ye, J. Mater. Chem. C, 2015, 3, 5268–5274.
20 G. H. Zou, Z. Lin, H. M. Zeng, H. Jo, S. Lim, T. You and
K. M. Ok, Chem. Sci., 2018, DOI: 10.1039/C8SC03672A.
21 M. L. Liang, Y. X. Ma, C. L. Hu, F. Kong and J. G. Mao,
Dalton Trans., 2018, 47, 1513–1519.
+
By systematically exploring the A-Sb-SO4 (A = NH4 , alkali
metal) system, four antimony fluoride sulfates named
A2SO4·SbF3 (A = Na+, NH4 , K+, Rb+) were successfully syn-
+
thesized through a hydrothermal method. A+ cation plays an
important role in effecting the coordination mode and the
arrangement of the four compounds resulting in three
different space groups with different centricities. Detailed
characterization such as IR, TGA, XRD, UV and theoretical cal-
culations were carried out. The powder second harmonic gene-
ration for K2SO4·SbF3 and Rb2SO4·SbF3 indicates that both the
compounds are type I phase-matchable and exhibit SHG
efficiencies about 0.1 and 0.3 times that of KDP. Tuning the
crystal structures through metal cations will be helpful for the
subsequent exploring of new NLO materials.
Conflicts of interest
22 M. Luo, F. Liang, Y. X. Song, D. Zhao, N. Ye and Z. S. Lin,
J. Am. Chem. Soc., 2018, 140, 6814–6817.
There are no conflicts to declare.
23 X. Y. Dong, Q. Jing, Y. J. Shi, Z. H. Yang and S. L. Pan,
J. Am. Chem. Soc., 2015, 137, 9417–9422.
Acknowledgements
24 H. Zhang, M. Zhang, S. L. Pan, X. Y. Dong, Z. H. Yang,
X. L. Hou, Z. Wang, K. B. Chang and K. R. Poeppelmeier,
J. Am. Chem. Soc., 2015, 137, 8360–8363.
25 G. H. Zou, C. S. Lin, H. Jo, G. Nam, T. S. You and K. M. Ok,
Angew. Chem., Int. Ed., 2016, 55, 12078–12082.
26 K. M. Ok, Acc. Chem. Res., 2016, 49, 2774–2785.
27 D. W. Lee, S. J. Oh, P. S. Halasyamani and K. M. Ok, Inorg.
Chem., 2011, 50, 4473–4480.
This work was supported by the National Natural Science
Foundation of China (no. 21501161 and 21875146).
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