Details

Autor(en) / Beteiligte

• Jia, Ying-Jie
• Chen, Yi-Gang
• Wang, Ting
• Guo, Yao
• Guan, Xiao-Fang
• Zhang, Xian-Ming

Titel

KBi(IO 3 ) 3 (OH) and NaBi(IO 3 ) 4 : from the centrosymmetric chain to a noncentrosymmetric double layer

Ist Teil von

• Dalton transactions : an international journal of inorganic chemistry, 2019-07, Vol.48 (27), p.10320-10326

Ort / Verlag

England: Royal Society of Chemistry

Erscheinungsjahr

2019

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Two new alkali-metal bismuth iodates KBi(IO ) (OH) (1) and NaBi(IO ) (2) have been synthesized by a hydrothermal method via tuning of alkali-metal ions. Compound 1 crystallizes in the space group P1[combining macron] and features a [Bi(IO ) (OH)] chain with eight-membered Bi-O-I-O-Bi-O-I-O rings. The [Bi(IO ) (OH)] chain consists of paddlewheel-like dimeric Bi (OH) (IO ) units linked by IO pairs. Compound 2 in the polar space group Cc features a [Bi(IO ) ] double layer with Bi I eight-membered rings (8-MRs). NaBi(IO ) exhibits a strong second harmonic generation (SHG) response of ∼5.0 × KDP (KH PO ) 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 groups. The calculated electronic structure based on the DFT method indicates that the BiO and IO groups dominate their optical properties.