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Title: 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}]

Abstract

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.

Authors:
;  [1]
  1. Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003 (United States)
Publication Date:
OSTI Identifier:
21372420
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 182; Journal 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.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 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

Citation Formats

Yeon, Jeongho, Kim, Sang-Hwan, and Halasyamani, P. Shiv, E-mail: psh@uh.ed. 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}]. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2009.09.021.
Yeon, Jeongho, Kim, Sang-Hwan, & Halasyamani, P. Shiv, E-mail: psh@uh.ed. 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}]. United States. doi:10.1016/j.jssc.2009.09.021.
Yeon, Jeongho, Kim, Sang-Hwan, and Halasyamani, P. Shiv, E-mail: psh@uh.ed. Tue . "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}]". United States. doi:10.1016/j.jssc.2009.09.021.
@article{osti_21372420,
title = {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}]},
author = {Yeon, Jeongho and Kim, Sang-Hwan and Halasyamani, P. Shiv, E-mail: psh@uh.ed},
abstractNote = {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.},
doi = {10.1016/j.jssc.2009.09.021},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 12,
volume = 182,
place = {United States},
year = {2009},
month = {12}
}