JOURNAL ARTICLE

Mo<sup>6+</sup> Cation Enrichment of the Structure\nChemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O, Ba<sub>3</sub>[(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O(OH)<sub>4</sub>]·2H<sub>2</sub>O, and Sr[(MoO<sub>2</sub>)<sub>6</sub>(IO<sub>4</sub>)<sub>2</sub>O<sub>4</sub>]·H<sub>2</sub>O

Abstract

The three metal iodates Ba­(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O (<b>1</b>), Ba<sub>3</sub>[(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O­(OH)<sub>4</sub>]·2H<sub>2</sub>O (<b>2</b>),\nand Sr­[(MoO<sub>2</sub>)<sub>6</sub>(IO<sub>4</sub>)<sub>2</sub>O<sub>4</sub>]·H<sub>2</sub>O (<b>3</b>) have been successfully\nsynthesized by introducing second-order\nJahn–Teller distorted Mo<sup>6+</sup> cations by a mild hydrothermal\nmethod. Single-crystal X-ray diffraction (XRD) was used to determine\nthe structures of the three title compounds. In compound <b>1</b>, the [Mo<sub>2</sub>O<sub>11</sub>]<sup>10–</sup> dimers\nconnect with the [IO<sub>3</sub>]<sup>−</sup> units by sharing\noxygen atoms to form two-dimensional (2D) layers that are separated\nby the Ba<sup>2+</sup> cations. For comparison, the [Mo<sub>2</sub>O<sub>11</sub>]<sup>10–</sup> dimers and the [IO<sub>3</sub>]<sup>−</sup> units are isolated in compound <b>2</b>, and they are connected by the [BaO<sub>11</sub>]<sup>20–</sup> polyhedra forming a 3D network. For compound <b>3</b>, the\n[MoO<sub>6</sub>]<sup>6–</sup> polyhedra link with each other\nby corner and edge sharing to build 2D corrugated layers with tunnels\ncontaining isolated [IO<sub>4</sub>]<sup>3–</sup> units. The\n[SrO<sub>9</sub>]<sup>16‑</sup> polyhedra link the 2D corrugated\nlayers to form a 3D network. The infrared (IR) spectra, the ultraviolet–visible–near-infrared\n(UV–vis–NIR) diffuse reflectance spectra, and thermal\nstabilities of compounds <b>1</b> and <b>2</b> are presented.\nIn addition, the theoretical calculations are also carried out to\nevaluate their band gaps and density of states.

Keywords:
Polyhedron Diffraction Infrared Enhanced Data Rates for GSM Evolution Metal Infrared spectroscopy

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