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KBi(IO3)3(OH) and NaBi(IO3)4: from the centrosymmetric chain to a noncentrosymmetric double layer.
- Source :
-
Dalton Transactions: An International Journal of Inorganic Chemistry . 7/21/2019, Vol. 48 Issue 27, p10320-10326. 7p. - Publication Year :
- 2019
-
Abstract
- Two new alkali–metal bismuth iodates KBi(IO3)3(OH) (1) and NaBi(IO3)4 (2) have been synthesized by a hydrothermal method via tuning of alkali–metal ions. Compound 1 crystallizes in the space group P1̅ and features a [Bi(IO3)3(OH)]n chain with eight-membered Bi–O–I–O–Bi–O–I–O rings. The [Bi(IO3)3(OH)]n chain consists of paddlewheel-like dimeric Bi2(OH)2(IO3)4 units linked by IO3 pairs. Compound 2 in the polar space group Cc features a [Bi(IO3)4]− double layer with Bi4I4 eight-membered rings (8-MRs). NaBi(IO3)4 exhibits a strong second harmonic generation (SHG) response of ∼5.0 × KDP (KH2PO4) and a wide transmittance window (0.4–12 μm), and structure analyses and theoretical calculations reveal that polarization results mainly from the proper alignment of the IO3 groups. The calculated electronic structure based on the DFT method indicates that the BiOn and IO3 groups dominate their optical properties. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 48
- Issue :
- 27
- Database :
- Academic Search Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 137383496
- Full Text :
- https://doi.org/10.1039/c9dt01573f