A{sub 2}TiF{sub 5}.nH{sub 2}O (A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides
- Department of Chemistry, Chung-Ang University, 221 Heukseok-dong, Dongjak-gu, Seoul 156-756 (Korea, Republic of)
- Department of Chemistry and Research Institute for Basic Sciences, Kyung Hee University, Seoul 130-701 (Korea, Republic of)
Three new uni-dimensional alkali metal titanium fluoride materials, A{sub 2}TiF{sub 5}.nH{sub 2}O (A=K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A{sub 2}TiF{sub 5}.nH{sub 2}O have been determined by single-crystal X-ray diffraction. The Ti{sup 4+} cations have been reduced to Ti{sup 3+} during the synthesis reactions. All three A{sub 2}TiF{sub 5}.nH{sub 2}O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti{sup 3+}F{sub 6} corner-sharing octahedra attributable to the Jahn-Teller distortion. The coordination environment of the alkali metal cations plays an important role to determine the degree of turning in the chain structures. Complete structural analyses, Infrared and UV-vis diffuse reflectance spectra, and thermal analyses are presented, as are electronic structure calculations. -- Graphical abstract: Ball-and-stick and polyhedral representations for (a) {beta}-K{sub 2}TiF{sub 5} and (b) Rb{sub 2}TiF{sub 5}.H{sub 2}O or Cs{sub 2}TiF{sub 5}.H{sub 2}O with the K{sup +} and Rb{sup +} (or Cs{sup +}) coordination environment emphasized. Display Omitted Research highlights: > Synthesis, structure, characterization, and calculation of new titanium fluorides. > Study of reduction of starting Ti{sup 4+} cations to Ti{sup 3+} by DMF. > Novel 1-D chain structures with Jahn-Teller distorted TiF{sub 6} octahedra.
- OSTI ID:
- 21504060
- Journal Information:
- Journal of Solid State Chemistry, Vol. 184, Issue 4; Other Information: DOI: 10.1016/j.jssc.2011.01.029; PII: S0022-4596(11)00030-2; Copyright (c) 2011 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
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ALKALI METALS
CATIONS
CESIUM COMPOUNDS
CESIUM IONS
ELECTRONIC STRUCTURE
HYDROTHERMAL SYNTHESIS
JAHN-TELLER EFFECT
MONOCRYSTALS
POTASSIUM COMPOUNDS
POTASSIUM IONS
RUBIDIUM COMPOUNDS
RUBIDIUM IONS
SPECTRA
THERMAL ANALYSIS
TITANIUM FLUORIDES
TITANIUM IONS
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
CHARGED PARTICLES
COHERENT SCATTERING
CRYSTALS
DIFFRACTION
ELEMENTS
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
IONS
METALS
SCATTERING
SYNTHESIS
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS