A(2)TiF(5)center dot nH(2)O (A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides

作者：Jo Vinna; Lee Dong Woo; Koo Hyun Joo; Ok Kang Min^*

来源：Journal of Solid State Chemistry, 2011, 184(4): 741-746.

DOI：10.1016/j.jssc.2011.01.029

• Synthesis
• Titanium fluorides
• Uni-dimensional
• X-ray diffraction

Three new uni-dimensional alkali metal titanium fluoride materials, A(2)TiF(5)center dot nH(2)O (A = K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A(2)TiF(5)center dot nH(2)O have been determined by single-crystal X-ray diffraction. The Ti4+ cations have been reduced to Ti3+ during the synthesis reactions. All three A(2)TiF(5)center dot nH(2)O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti3+F6 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.

• 出版日期2011-4