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A series of oxysulfides REMSO (RE = Y, Tm; M = Zr, Hf) featuring a unique MSO motif and {[MSO]} wrinkle layer
Inorganic salts with multiple anions have recently received increasing interest in view of their structural diversity and multifunctional properties, and oxysulfides are one type of such salts. Here, three novel oxysulfides Y 2 Zr 2 S 3 O 4 ( 1 ), Y 2 Hf 2 S 3 O 4 ( 2 ), and Tm 2 Z 2 S 3 O 4 ( 3 ) a...
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| Published in: | Chemical communications (Cambridge, England) England), 2021-04, Vol.57 (28), p.35-353 |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | |
| Online Access: | Get full text |
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| Summary: | Inorganic salts with multiple anions have recently received increasing interest in view of their structural diversity and multifunctional properties, and oxysulfides are one type of such salts. Here, three novel oxysulfides Y
2
Zr
2
S
3
O
4
(
1
), Y
2
Hf
2
S
3
O
4
(
2
), and Tm
2
Z
2
S
3
O
4
(
3
) are obtained by high-temperature solid-state reactions. They crystallize with the orthorhombic space group
Pbam
and their three-dimensional structures featuring MS
3
O
4
(M = Zr, Hf) motifs built an unprecedented {[M
2
S
3
O
4
]
8−
}
∞
wrinkle layer. Their optical band gaps are determined and
3
shows antiferromagnetic-like behavior. Theoretical calculations suggest their direct band gaps and the electron transfer between the frontier orbitals mainly occurred from S-3p and O-2p, to Y-4d and Zr-4d/Hf-5d orbitals.
The structures of new RE, M-oxysulfides (RE = Y, Tm; M = Zr, Hf) feature a unique MS
3
O
4
motif and {[Zr
2
S
3
O
4
]
8−
}
∞
wrinkle layer, which can be derived from well-known RE
2
Ti
2
S
2
O
5
via
simply modulating the S/O ratios. |
|---|---|
| ISSN: | 1359-7345 1364-548X |
| DOI: | 10.1039/d1cc00351h |