Selenite bromide nonlinear optical materials Pb 2 GaF 2 (SeO 3 ) 2 Br and Pb 2 NbO 2 (SeO 3 ) 2 Br: synthesis and characterization
Two new isomorphic selenite bromides, namely Pb 2 GaF 2 (SeO 3 ) 2 Br ( 1 ) and Pb 2 NbO 2 (SeO 3 ) 2 Br ( 2 ), were synthesized by mild hydrothermal reactions. These two compounds crystallize in the noncentrosymmertric space group P 2 1 and feature 3D structures consisting of 1D (Pb 2 Br) 3+ cation...
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| Published in | Dalton transactions : an international journal of inorganic chemistry Vol. 49; no. 40; pp. 14046 - 14051 |
|---|---|
| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
20.10.2020
|
| Online Access | Get full text |
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| Summary: | Two new isomorphic selenite bromides, namely Pb
2
GaF
2
(SeO
3
)
2
Br (
1
) and Pb
2
NbO
2
(SeO
3
)
2
Br (
2
), were synthesized by mild hydrothermal reactions. These two compounds crystallize in the noncentrosymmertric space group
P
2
1
and feature 3D structures consisting of 1D (Pb
2
Br)
3+
cationic chains and 2D [Ga
2
F
4
(SeO
3
)
4
]
6−
/[Nb
2
O
4
(SeO
3
)
4
]
6−
anonic chains. As measured,
1
and
2
are phase-matchable and exhibit excellent second harmonic generation (SHG) responses of 4.5 and 1.4 times that of KDP, respectively. Moreover, these two compounds possess wide bandgaps (>3.17 eV) and high thermal stabilities (>425 °C), indicating their suitable performances as potential nonlinear optical materials. First-principle density functional theory (DFT) calculations were also performed to explicate the structure–property relationship. |
|---|---|
| ISSN: | 1477-9226 1477-9234 |
| DOI: | 10.1039/D0DT02514C |