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Title: Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework

Abstract

A pyrene‐based metal‐organic framework (MOF) SION‐8 captured iodine (I2) vapor with a capacity of 460 and 250 mg g−1MOF at room temperature and 75 °C, respectively. Single‐crystal X‐ray diffraction analysis and van‐der‐Waals‐corrected density functional theory calculations confirmed the presence of I2 molecules within the pores of SION‐8 and their interaction with the pyrene‐based ligands. The I2–pyrene interactions in the I2‐loaded SION‐8 led to a 104‐fold increase of its electrical conductivity compared to the bare SION‐8. Upon adsorption, ≥95 % of I2 molecules were incarcerated and could not be washed out, signifying the potential of SION‐8 towards the permanent capture of radioactive I2 at room temperature.

Authors:
 [1];  [1];  [2];  [3];  [4];  [2]; ORCiD logo [1]
  1. Laboratory of Molecular Simulation (LSMO)Institut des Sciences et Ingénierie Chimiques (ISIC)École Polytechnique Fédérale de Lausanne (EPFL Valais) Rue de l'Industrie 17 1951 Sion Switzerland
  2. Laboratory of Materials for Renewable Energy (LMER)Institut des Sciences et Ingénierie Chimiques (ISIC)École Polytechnique Fédérale de Lausanne (EPFL Valais) Rue de l'Industrie 17 1951 Sion Switzerland
  3. Molecular FoundryLawrence Berkeley National Laboratory Berkeley California 94720 USA; Department of PhysicsUniversity of California Berkeley California 94720 USA
  4. Molecular FoundryLawrence Berkeley National Laboratory Berkeley California 94720 USA; Department of PhysicsUniversity of California Berkeley California 94720 USA; Kavli Energy Nanosciences Institute at Berkeley Berkeley California 94720 USA
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1543480
DOE Contract Number:  
AC02-05CH11231; SC0001015
Resource Type:
Journal Article
Journal Name:
Chemistry - A European Journal
Additional Journal Information:
Journal Volume: 25; Journal Issue: 2; Journal ID: ISSN 0947-6539
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Gładysiak, Andrzej, Nguyen, Tu N., Spodaryk, Mariana, Lee, Jung‐Hoon, Neaton, Jeffrey B., Züttel, Andreas, and Stylianou, Kyriakos C. Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework. United States: N. p., 2018. Web. doi:10.1002/chem.201805073.
Gładysiak, Andrzej, Nguyen, Tu N., Spodaryk, Mariana, Lee, Jung‐Hoon, Neaton, Jeffrey B., Züttel, Andreas, & Stylianou, Kyriakos C. Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework. United States. doi:10.1002/chem.201805073.
Gładysiak, Andrzej, Nguyen, Tu N., Spodaryk, Mariana, Lee, Jung‐Hoon, Neaton, Jeffrey B., Züttel, Andreas, and Stylianou, Kyriakos C. Tue . "Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework". United States. doi:10.1002/chem.201805073.
@article{osti_1543480,
title = {Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework},
author = {Gładysiak, Andrzej and Nguyen, Tu N. and Spodaryk, Mariana and Lee, Jung‐Hoon and Neaton, Jeffrey B. and Züttel, Andreas and Stylianou, Kyriakos C.},
abstractNote = {A pyrene‐based metal‐organic framework (MOF) SION‐8 captured iodine (I2) vapor with a capacity of 460 and 250 mg g−1MOF at room temperature and 75 °C, respectively. Single‐crystal X‐ray diffraction analysis and van‐der‐Waals‐corrected density functional theory calculations confirmed the presence of I2 molecules within the pores of SION‐8 and their interaction with the pyrene‐based ligands. The I2–pyrene interactions in the I2‐loaded SION‐8 led to a 104‐fold increase of its electrical conductivity compared to the bare SION‐8. Upon adsorption, ≥95 % of I2 molecules were incarcerated and could not be washed out, signifying the potential of SION‐8 towards the permanent capture of radioactive I2 at room temperature.},
doi = {10.1002/chem.201805073},
journal = {Chemistry - A European Journal},
issn = {0947-6539},
number = 2,
volume = 25,
place = {United States},
year = {2018},
month = {12}
}

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