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Synthesis of the perovskite-type oxyfluoride AgTiO2F: an approach adopting the HSAB principle

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Abstract

A synthetic approach for oxyfluorides involving the hard and soft acids and bases (HSAB) principle was examined. Using AgF composed of the Ag+ ion as a soft acid and F as a hard base, we attempted to synthesize an oxyfluoride, AgTiO2F, that included the O2− ion as a softer base than the F ion and the Ti4+ ion as a harder acid than the Ag+ ion. Consequently, a perovskite (Pv)-type oxyfluoride AgTiO2F was synthesized by a solid-state reaction under ambient pressure and under high pressure, and a heat treatment at 1000 °C for 30 min under a pressure of 4 GPa produced the Pv-type phase with minimal impurity phases. The lack of an optical second harmonic generation (SHG) response and the result of Rietveld refinement indicated that the compound is centro-symmetric and shows the anti-phase tilt of Ti(O, F)6 octahedra along the c-axis on the basis of the space group I4/mcm. O/F ordering on the anion site was not clarified. The phase stability of a Pv-type AgTiO2F is discussed in terms of the HSAB principle and the thermodynamics in the formation of the Pv-type phase by comparing KTiO2F and NaTiO2F. AgTiO2F has a light yellow color and a band gap energy of 2.8 eV in the visible region, which originates from the covalent bonding between the soft cation Ag+ and O2− as a softer anion than F. We propose that the HSAB principle is useful for selecting a cation for the synthesis of oxyfluorides.

Graphical abstract: Synthesis of the perovskite-type oxyfluoride AgTiO2F: an approach adopting the HSAB principle

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Article information


Submitted
25 Apr 2020
Accepted
08 May 2020
First published
20 May 2020

Dalton Trans., 2020, Advance Article
Article type
Communication

Synthesis of the perovskite-type oxyfluoride AgTiO2F: an approach adopting the HSAB principle

Y. Inaguma, K. Sugimoto and K. Ueda, Dalton Trans., 2020, Advance Article , DOI: 10.1039/D0DT01518K

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