[o-C H NHOH] [I O (OH)]⋅3 H O: An Organic-Inorganic Hybrid SHG Material Featuring an [I O (OH)] Branched Polyiodate Chain.

An organic-inorganic hybrid polyiodate, namely, [o-C H NHOH] [I O (OH)]⋅3 H O (I), featuring a novel branched polyiodate chain has been obtained by evaporation method. [o-C H NHOH] [I O (OH)]⋅3 H O (I) crystalizes in the polar space group Ia and features an [I O (OH)] branched polyiodate chain in which [I O ] trimers are grafted on the same side of the one-dimensional (1D) chain based on [I O (OH)] tetramers. The asymmetric organic amine groups are beneficial to the polymerization of iodate groups and inducing the formation of the non-centrosymmetric (NCS) structure. Compound I exhibits a rather large Second-Harmonic- Generation (SHG) signal of 8.5×KH PO (KDP) upon 1064 nm laser radiation, a moderate band gap of 3.90 eV and a high laser-induced-damage-threshold (LIDT) of 182.34 MW cm , hence it is a promising new SHG material. The relationship between the structures of the organic amine groups and the overall structures has been also analyzed.