A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(Io3)(2)F-2, Exhibiting A Large Second-Harmonic-Generation Effect And Improved Overall Performance

A new anhydrous rare-earth metal iodate fluoride, Ce(IO3)(2)F-2, was rationally designed and synthesized. Ce(IO3)(2)F-2 features unique zigzag (infinity)[CeF2](2+) chains that are bridged by IO3- groups, creating a complex three-dimensional structure, which is conducive to the orderly arrangement of the lone pair of the functional IO3- groups and reinforcing the polarity compared to the hydrous material Ce(IO3)(2)F-2(H2O). Ce(IO3)(2)F-2 possesses a large second-harmonic-generation effect that is similar to 5.5 times larger than that of the benchmark KH2PO4, a wide transmission range of 0.45-11.4 mu m, and a high laser damage threshold (116.8 MW cm(-2)). Anhydrous Ce(IO3)(2)F-2 is superior to the hydrous material and is a potential nonlinear optical material.