Determination of the structure of distorted TiO6 units in the titanosilicate ETS-10 by a combination of X-ray absorption spectroscopy and computer modeling

Gopinathan Sankar; Robert G. Bell; John Meurig Thomas; Michael W. Anderson; Paul A. Wright; Joao Rocha

doi:10.1021/jp952205d

Determination of the structure of distorted TiO₆ units in the titanosilicate ETS-10 by a combination of X-ray absorption spectroscopy and computer modeling

Gopinathan Sankar^*, Robert G. Bell, John Meurig Thomas, Michael W. Anderson, Paul A. Wright, Joao Rocha

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

72 Citations (Scopus)

Abstract

A detailed picture of the local atomic environment of titanium in the novel titanosilicate ETS-10 has been derived from X-ray absorption spectroscopy aided by lattice energy minimization calculations. It is revealed that, in contrast to previous structural models for this disordered material, titanium exists in a distorted octahedral environment with long and short Ti-O bonds distributed within the chains of TiO₆ octahedra. Plausible models for the extraframework cation distribution have also been proposed.

Original language	English
Pages (from-to)	449-452
Number of pages	4
Journal	Journal of Physical Chemistry
Volume	100
Issue number	2
DOIs	https://doi.org/10.1021/jp952205d
Publication status	Published - 11 Jan 1996

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abstract = "A detailed picture of the local atomic environment of titanium in the novel titanosilicate ETS-10 has been derived from X-ray absorption spectroscopy aided by lattice energy minimization calculations. It is revealed that, in contrast to previous structural models for this disordered material, titanium exists in a distorted octahedral environment with long and short Ti-O bonds distributed within the chains of TiO6 octahedra. Plausible models for the extraframework cation distribution have also been proposed.",

author = "Gopinathan Sankar and Bell, {Robert G.} and Thomas, {John Meurig} and Anderson, {Michael W.} and Wright, {Paul A.} and Joao Rocha",

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AU - Anderson, Michael W.

AU - Wright, Paul A.

AU - Rocha, Joao

PY - 1996/1/11

Y1 - 1996/1/11

N2 - A detailed picture of the local atomic environment of titanium in the novel titanosilicate ETS-10 has been derived from X-ray absorption spectroscopy aided by lattice energy minimization calculations. It is revealed that, in contrast to previous structural models for this disordered material, titanium exists in a distorted octahedral environment with long and short Ti-O bonds distributed within the chains of TiO6 octahedra. Plausible models for the extraframework cation distribution have also been proposed.

AB - A detailed picture of the local atomic environment of titanium in the novel titanosilicate ETS-10 has been derived from X-ray absorption spectroscopy aided by lattice energy minimization calculations. It is revealed that, in contrast to previous structural models for this disordered material, titanium exists in a distorted octahedral environment with long and short Ti-O bonds distributed within the chains of TiO6 octahedra. Plausible models for the extraframework cation distribution have also been proposed.

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Determination of the structure of distorted TiO₆ units in the titanosilicate ETS-10 by a combination of X-ray absorption spectroscopy and computer modeling

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