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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(IO<subscript>3</subscript>)<subscript>3</subscript>(OH) (1) and NaBi(IO<subscript>3</subscript>)<subscript>4</subscript> (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(IO<subscript>3</subscript>)<subscript>3</subscript>(OH)]<subscript>n</subscript> chain with eight-membered Bi–O–I–O–Bi–O–I–O rings. The [Bi(IO<subscript>3</subscript>)<subscript>3</subscript>(OH)]<subscript>n</subscript> chain consists of paddlewheel-like dimeric Bi<subscript>2</subscript>(OH)<subscript>2</subscript>(IO<subscript>3</subscript>)<subscript>4</subscript> units linked by IO<subscript>3</subscript> pairs. Compound 2 in the polar space group Cc features a [Bi(IO<subscript>3</subscript>)<subscript>4</subscript>]<superscript>−</superscript> double layer with Bi<subscript>4</subscript>I<subscript>4</subscript> eight-membered rings (8-MRs). NaBi(IO<subscript>3</subscript>)<subscript>4</subscript> exhibits a strong second harmonic generation (SHG) response of ∼5.0 × KDP (KH<subscript>2</subscript>PO<subscript>4</subscript>) 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 IO<subscript>3</subscript> groups. The calculated electronic structure based on the DFT method indicates that the BiO<subscript>n</subscript> and IO<subscript>3</subscript> groups dominate their optical properties. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 48
- Issue :
- 27
- Database :
- Complementary 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