Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography

William J. Gee; Lauren E. Hatcher; Christopher A. Cameron; Clare Stubbs; Mark R Warren; Andrew D. Burrows; Paul R. Raithby

doi:10.1021/acs.inorgchem.7b03218

Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography

William J. Gee, Lauren E. Hatcher, Christopher A. Cameron, Clare Stubbs, Mark R Warren, Andrew D. Burrows, Paul R. Raithby

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Abstract

The uptake of gaseous iodine into the crystalline sponge material [(ZnI ₂) ₃(tpt) ₂]·0.7triphenylene·0.3PhNO ₂·0.7C ₆H ₁₂ 1 (tpt = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) has been monitored by dynamic X-ray diffraction and thermogravimetric analysis. The X-ray analyses have enabled the location, quantity, uptake rate, and subsequent chemistry of the iodine upon inclusion into the pores to be determined. An uptake of 6.0 wt % (0.43 I ₂ per formula unit) was observed crystallographically over a period of 90 min before crystal degradation occurred. The included iodine molecules interact with the iodine atoms of the ZnI ₂ nodes at three different sites, forming coordinated I ₃ ^- ions. The results contrast to recent observations on [(ZnI ₂) ₃(tpt) ₂] without the triphenylene guests which show the presence of I ₄ ^2- ions with low quantities of absorbed iodine.

Original language	English
Pages (from-to)	4959-4965
Number of pages	7
Journal	Inorganic Chemistry
Volume	57
Issue number	9
Early online date	12 Apr 2018
DOIs	https://doi.org/10.1021/acs.inorgchem.7b03218
Publication status	Published - 7 May 2018

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/acs.inorgchem.7b03218

ic-2017-032188-ms-rev
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.7b03218.
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@article{871a92b491b443008f0dd38f695420b2,

title = "Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography",

abstract = "The uptake of gaseous iodine into the crystalline sponge material [(ZnI 2) 3(tpt) 2]·0.7triphenylene·0.3PhNO 2·0.7C 6H 12 1 (tpt = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) has been monitored by dynamic X-ray diffraction and thermogravimetric analysis. The X-ray analyses have enabled the location, quantity, uptake rate, and subsequent chemistry of the iodine upon inclusion into the pores to be determined. An uptake of 6.0 wt % (0.43 I 2 per formula unit) was observed crystallographically over a period of 90 min before crystal degradation occurred. The included iodine molecules interact with the iodine atoms of the ZnI 2 nodes at three different sites, forming coordinated I 3 - ions. The results contrast to recent observations on [(ZnI 2) 3(tpt) 2] without the triphenylene guests which show the presence of I 4 2- ions with low quantities of absorbed iodine. ",

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doi = "10.1021/acs.inorgchem.7b03218",

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T1 - Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography

AU - Gee, William J.

AU - Hatcher, Lauren E.

AU - Cameron, Christopher A.

AU - Stubbs, Clare

AU - Warren, Mark R

AU - Burrows, Andrew D.

AU - Raithby, Paul R.

PY - 2018/5/7

Y1 - 2018/5/7

N2 - The uptake of gaseous iodine into the crystalline sponge material [(ZnI 2) 3(tpt) 2]·0.7triphenylene·0.3PhNO 2·0.7C 6H 12 1 (tpt = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) has been monitored by dynamic X-ray diffraction and thermogravimetric analysis. The X-ray analyses have enabled the location, quantity, uptake rate, and subsequent chemistry of the iodine upon inclusion into the pores to be determined. An uptake of 6.0 wt % (0.43 I 2 per formula unit) was observed crystallographically over a period of 90 min before crystal degradation occurred. The included iodine molecules interact with the iodine atoms of the ZnI 2 nodes at three different sites, forming coordinated I 3 - ions. The results contrast to recent observations on [(ZnI 2) 3(tpt) 2] without the triphenylene guests which show the presence of I 4 2- ions with low quantities of absorbed iodine.

AB - The uptake of gaseous iodine into the crystalline sponge material [(ZnI 2) 3(tpt) 2]·0.7triphenylene·0.3PhNO 2·0.7C 6H 12 1 (tpt = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) has been monitored by dynamic X-ray diffraction and thermogravimetric analysis. The X-ray analyses have enabled the location, quantity, uptake rate, and subsequent chemistry of the iodine upon inclusion into the pores to be determined. An uptake of 6.0 wt % (0.43 I 2 per formula unit) was observed crystallographically over a period of 90 min before crystal degradation occurred. The included iodine molecules interact with the iodine atoms of the ZnI 2 nodes at three different sites, forming coordinated I 3 - ions. The results contrast to recent observations on [(ZnI 2) 3(tpt) 2] without the triphenylene guests which show the presence of I 4 2- ions with low quantities of absorbed iodine.

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DO - 10.1021/acs.inorgchem.7b03218

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VL - 57

SP - 4959

EP - 4965

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 9

ER -

Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography

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Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly

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Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography

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Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly

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