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Iodide-Iodates M 3[IO 3] 12·Ag 4 I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response

Iodide-Iodates M 3[IO 3] 12·Ag 4 I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response

Elena L Belokoneva, Sergey Yu Stefanovich, Olga V Dimitrova, Alina S Karamysheva, Anatoly S Volkov

Inorg Chem. 2017 Feb 6;56(3):1186-1192.

PMID: 28067505

Abstract:

Single crystals of two new iodide-iodates, Bi3[IO3]12·Ag4I and Tb3[IO3]12·Ag4I, are synthesized in hydrothermal systems. The anionic parts in both iodide-iodates are characterized as a complex charged framework of isolated IO3 umbrella-like groups and large Bi(Tb)-O polyhedra similar to those previously found in La3[IO3]12[IO3](Pb3O). Broad channels along the c-axis contain compensators: (Ag3I)2+ umbrella-like groups and additional Ag+ ions which form Ag44+ tetrahedral clusters augmented with I- halogen. New iodates possess significantly higher second-order nonlinear optical characteristics compared to the previously known lead-containing compounds REE3[IO3]12[IO3](Pb3O), REE = La, Pr, Nd. The difference is related to the polar ordering of umbrella-like (Ag3I)2+ groups in the channels in the new iodide-iodate. Additionally, planar-coordinated Ag atoms add three Ag atoms in umbrellas forming [Ag4I]3+ polar clusters in the channels.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP53213880	3,3′-Diheptylthiacarbocyanine iodide		53213-88-0	Price

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