Bi(IO3)F2: The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect

• Published in: Angewandte Chemie International Edition Vol. 56; no. 8; pp. 2151 - 2155
• Main Authors: Mao, Fei‐Fei, Hu, Chun‐Li, Xu, Xiang, Yan, Dong, Yang, Bing‐Ping, Mao, Jiang‐Gao
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 13.02.2017
• Edition: International ed. in English
• Subjects: bismuth; Cations; Fluorides; Laser radiation; Lasers; metal iodate fluorides; NLO materials; Second harmonic generation; theoretical calculations; Tunnels
• ISSN: 1433-7851; 1521-3773
• DOI: 10.1002/anie.201611770

The first metal iodate fluoride, Bi(IO3)F2, with a strong second harmonic generation (SHG) effect has been prepared. Bi(IO3)F2 crystallizes in the polar space group C2 and features a three‐dimensional [BiF2]+ cationic framework with IO3 groups capping the inner walls of the one‐dimensional tunnels. This [BiF2]+ cationic framework acts as a template for the assembly of the polar IO3 units in a favorable superposed fashion, which leads to the polar structure of the material. Bi(IO3)F2 displays a rather wide transmittance window (0.3–11 μm) and exhibits a very strong SHG response that is about 11.5 times larger than that of KH2PO4 (KDP) under 1064 nm laser radiation and the same as that of KTiOPO4 (KTP) under 2.05 μm laser radiation. Preliminary investigations indicate that Bi(IO3)F2 is a promising nonlinear optical material in the visible and mid‐IR region. The metal iodate fluoride Bi(IO3)F2 was prepared through the introduction of fluoride anions into bismuth iodate. It features a three‐dimensional [BiF2]+ framework that acts as a template for the alignment of the IO3 units and displays a significant second harmonic generation effect that is about 11.5 times larger than that of KH2PO4 (KDP).