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Incarceration of Iodine in a Pyrene‐Based Metal–Organic Framework
Author(s) -
Gładysiak Andrzej,
Nguyen Tu N.,
Spodaryk Mariana,
Lee JungHoon,
Neaton Jeffrey B.,
Züttel Andreas,
Stylianou Kyriakos C.
Publication year - 2019
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201805073
Subject(s) - pyrene , van der waals force , adsorption , molecule , chemistry , metal organic framework , density functional theory , iodine , metal , conductivity , electrical resistivity and conductivity , analytical chemistry (journal) , inorganic chemistry , computational chemistry , organic chemistry , electrical engineering , engineering
A pyrene‐based metal‐organic framework (MOF) SION‐8 captured iodine (I 2 ) vapor with a capacity of 460 and 250 mg g −1 MOF 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 I 2 molecules within the pores of SION‐8 and their interaction with the pyrene‐based ligands. The I 2 –pyrene interactions in the I 2 ‐loaded SION‐8 led to a 10 4 ‐fold increase of its electrical conductivity compared to the bare SION‐8 . Upon adsorption, ≥95 % of I 2 molecules were incarcerated and could not be washed out, signifying the potential of SION‐8 towards the permanent capture of radioactive I 2 at room temperature.