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Sb4O3(TeO3)2(HSO4)(OH): An Antimony Tellurite Sulfate Exhibiting Large Optical Anisotropy Activated by Lone Pair Stereoactivity.

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A new birefringent crystal of Sb4O3(TeO3)2(HSO4)(OH) was achieved by incorporating two stereochemically active lone pair (SCALP) cations of Sb(III) and Te(IV) into sulfates simultaneously. The Sb3+ and Te4+ ions display… Click to show full abstract

A new birefringent crystal of Sb4O3(TeO3)2(HSO4)(OH) was achieved by incorporating two stereochemically active lone pair (SCALP) cations of Sb(III) and Te(IV) into sulfates simultaneously. The Sb3+ and Te4+ ions display highly distorted coordination environments due to the SCALP effect. Sb4O3(TeO3)2(HSO4)(OH) displays a 3D structure composed of [Sb4O3(TeO3)2(OH)]∞+ layers bridged by [SO3(OH)]- tetrahedra. It possesses a large birefringence and a wide optical transparent range, making it a new UV birefringent crystal. First-principles calculation analysis suggests that the synergistic effect of the cooperation of SCALP effect of Sb3+ and Te4+ cations make a dominant contribution to the birefringence. The work highlights that units with SCALP cations have advantages in generating large optical anisotropy and are preferable structural units for designing novel birefringent materials.

Keywords: lone pair; large optical; teo3 hso4; sb4o3 teo3; teo3

Journal Title: Inorganic chemistry
Year Published: 2023

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