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K2Au(IO3)5 and β-KAu(IO3)4: Polar Materials with Strong SHG Responses Originating from Synergistic Effect of AuO4 and IO3 Units.
- Source :
-
Chemistry - A European Journal . Jan2016, Vol. 22 Issue 5, p1750-1759. 10p. - Publication Year :
- 2016
-
Abstract
- Two new polar potassium gold iodates, namely, K2Au(IO3)5 ( Cmc21) and β-KAu(IO3)4 ( C2), have been synthesized and structurally characterized. Both compounds feature zero-dimensional polar [Au(IO3)4]− units composed of an AuO4 square-planar unit coordinated by four IO3− ions in a monodentate fashion. In β-KAu(IO3)4, isolated [Au(IO3)4]− ions are separated by K+ ions, whereas in K2Au(IO3)5, isolated [Au(IO3)4]− ions and non-coordinated IO3− units are separated by K+ ions. Both compounds are thermally stable up to 400 °C and exhibit high transmittance in the NIR region ( λ=800-2500 nm) with measured optical band gaps of 2.65 eV for K2Au(IO3)5 and 2.75 eV for β-KAu(IO3)4. Powder second-harmonic generation measurements by using λ=2.05 μm laser radiation indicate that K2Au(IO3)5 and β-KAu(IO3)4 are both phase-matchable materials with strong SHG responses of approximately 1.0 and 1.3 times that of KTiOPO4, respectively. Theoretical calculations based on DFT methods confirm that such strong SHG responses originate from a synergistic effect of the AuO4 and IO3 units. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09476539
- Volume :
- 22
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Chemistry - A European Journal
- Publication Type :
- Academic Journal
- Accession number :
- 112359646
- Full Text :
- https://doi.org/10.1002/chem.201504117