ABSTRACT
A new alkali-metal iodate, K6(IO6H4)(HI2O6)(HIO3)2(IO3)4·2H2O (KIOH), was successfully grown at room temperature by a slow evaporation method. To our knowledge, the title compound is the first alkali-metal iodate containing isolated [I5+O3] and [I7+O6] units in one structure. Both the bond valence sum and X-ray photoelectron spectroscopy confirmed this phenomenon, which is consistent with the single-crystal data. Also, the theoretical calculation results showed that the title compound is a potential birefringent material. What is more, the low-cost growth of centimeter-sized crystals for the title compound greatly enriches the structural chemistry of the iodate system.
ABSTRACT
The first rare earth metal iodate fluoride, Ce(IO3 )2 F2 â H2 O, was synthesized by a hydrothermal method. In the structure, CeO5 F4 polyhedra connect with isolated IO3 groups to form 1D infinite 1 ∞ [Ce(IO3 )2 F2 ] chains, which interconnect with each other by weak hydrogen bonds to construct the whole structure. Ce(IO3 )2 F2 â H2 O produces a large second harmonic generation response, which is three times that of potassium dihydrogenphosphate. Theoretical calculations with DFT and dipole moments were performed to illustrate the relationships between the structure and the properties. The results show that Ce(IO3 )2 F2 â H2 O is a new iodate fluoride with novel structure and potential applications in nonlinear optics.
