High-Pressure Phase Transition, Pore Collapse, and Amorphization in the Siliceous 1D Zeolite, TON
Authors: Thibaud JM., Rouquette J., Hermet P., Dziubek K., Gorelli FA., Santoro M., Garbarino G., Alabarse FG., Cambon O., Di Renzo F., van der Lee A., Haines J.
Autors Affiliation: Univ Montpellier, CNRS, ICGM, ENSCM, Montpellier, France; European Lab Non Linear Spect LENS, I-50019 Sesto Fiorentino, Italy; Adam Mickiewicz Univ, Fac Chem, Umultowska 89b, PL-61614 Poznan, Poland; CNR, INO, I-50019 Sesto Fiorentino, Italy; ESRF, 71 Ave Martyrs, F-38000 Grenoble, France; Synchrotron Soleil, St Aubin BP48, F-91192 Gif Sur Yvette, France; Univ Montpellier, CNRS, IEM, Montpellier, France
Abstract: The siliceous zeolite TON with a 1-D pore system was studied at high pressure by X-ray diffraction, infrared spectroscopy, and DFT calculations. The behavior of this material was investigated using nonpenetrating pressure transmitting media. Under these conditions, a phase transition from the Cmc2(1) to a Pbn2(1) structure occurs at close to 0.6 GPa with doubling of the primitive unit cell based on Rietveld refinements. The pores begin to collapse with a strong increase in their ellipticity. Upon decreasing the pressure below this value the initial structure was not recovered. DFT calculations indicate that the initial empty pore Cmc2(1) phase is dynamically unstable. Irreversible, progressive pressure-induced amorphization occurs upon further increases in pressure up to 21 GPa. These changes are confirmed in the mid-and far-infrared spectra by peak splitting at the Cmc2(1) to Pbn2(1) phase transition and strong peak broadening at high pressure due to amorphization.
Journal/Review: JOURNAL OF PHYSICAL CHEMISTRY C
Volume: 121 (8) Pages from: 4283 to: 4292
KeyWords: POWDER DIFFRACTION; FLEXIBILITY; TEMPERATURE; FRAMEWORK; INSERTION; BEHAVIOR; CRYSTALDOI: 10.1021/acs.jpcc.6b11594Citations: 12data from “WEB OF SCIENCE” (of Thomson Reuters) are update at: 2022-05-22References taken from IsiWeb of Knowledge: (subscribers only)Connecting to view paper tab on IsiWeb: Click hereConnecting to view citations from IsiWeb: Click here