New thallium iodates-Synthesis, characterization, and calculations of Tl(IO{sub 3}){sub 3} and Tl{sub 4}(IO{sub 3}){sub 6}, [Tl{sup +}{sub 3}Tl{sup 3+}(IO{sub 3}){sub 6}]
- Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003 (United States)
Two new thallium iodates have been synthesized, Tl(IO{sub 3}){sub 3} and Tl{sub 4}(IO{sub 3}){sub 6} [Tl{sup +}{sub 3}Tl{sup 3+}(IO{sub 3}){sub 6}], and characterized by single-crystal X-ray diffraction. Both materials were synthesized as phase-pure compounds through hydrothermal techniques using Tl{sub 2}CO{sub 3} and HIO{sub 3} as reagents. The materials crystallize in space groups R-3 (Tl(IO{sub 3}){sub 3}) and P-1 (Tl{sub 4}(IO{sub 3}){sub 6}). Although lone-pairs are observed for both I{sup 5+} and Tl{sup +}, electronic structure calculations indicate the lone-pair on I{sup 5+} is stereo-active, whereas the lone-pair on Tl{sup +} is inert. - Graphical abstract: Visualization of the stereo-active lone-pair (purple) through ELFs for Tl{sub 4}(IO{sub 3}){sub 6}. The spherical nature of the ELFs around the Tl{sup +} cation indicates the lone-pair is inert.
- OSTI ID:
- 21372420
- Journal Information:
- Journal of Solid State Chemistry, Vol. 182, Issue 12; Other Information: DOI: 10.1016/j.jssc.2009.09.021; PII: S0022-4596(09)00456-3; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
CATIONS
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
IODATES
IODIC ACID
IODINE IONS
MONOCRYSTALS
OXIDES
SPACE GROUPS
SPHERICAL CONFIGURATION
SYNTHESIS
THALLIUM COMPOUNDS
THALLIUM IONS
X-RAY DIFFRACTION
CHALCOGENIDES
CHARGED PARTICLES
COHERENT SCATTERING
CONFIGURATION
CRYSTALS
DIFFRACTION
HALOGEN COMPOUNDS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
INORGANIC COMPOUNDS
IODINE COMPOUNDS
IONS
OXYGEN COMPOUNDS
SCATTERING
SYMMETRY GROUPS