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Title: Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs

Strict monitoring and control of selenium concentrations in freshwater supplies is critical to safeguarding human health and aquatic life. A handful of previously investigated sorbents exhibit noteworthy gravimetric (mg g -1) Se uptake capacities; however, often display insufficient volumetric (mg cm -3) capacities, thereby requiring large volumes of material for commercial implementation. In this paper, in pursuit of mitigating this material inefficiency, we investigated the selenite (SeO 3 2-) and selenate (SeO 4 2-) affinity of MOF-808, a Zr-based metal–organic framework with a high density of potential Se oxyanion binding sites. MOF-808 recorded exceptional volumetric and gravimetric Se oxyanion capacities of 133 mg g -1 (127 mg cm -3) and 118 mg g -1 (112 mg cm -3) for aqueous selenite and selenate, respectively. Single-crystal X-ray diffraction studies revealed that selenite and selenate can bind at the MOF node via two distinct binding motifs, an η 2μ 2 motif in which the oxyanion coordinates to two different metal atoms in a single node, and a μ 2 motif in which the oxyanion interacts with only a single metal atom. Finally and furthermore, powder X-ray diffraction (PXRD) patterns and N 2 adsorption/desorption isotherms confirm the retention of bulk crystallinity and porositymore » after the uptake of Se oxyanions.« less
Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [1] ; ORCiD logo [1] ; ORCiD logo [3]
  1. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
  2. Concordia Univ., Montreal, QC (Canada). Dept. of Chemistry and Biochemistry
  3. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry. Dept. of Chemical and Biological Engineering; King Abdulaziz Univ., Jeddah (Saudi Arabia). Dept. of Chemistry
Publication Date:
Grant/Contract Number:
NA0003763; ECCS-1542205
Type:
Accepted Manuscript
Journal Name:
CrystEngComm
Additional Journal Information:
Journal Name: CrystEngComm; Journal ID: ISSN 1466-8033
Publisher:
Royal Society of Chemistry
Research Org:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1468444

Drout, Riki J., Howarth, Ashlee J., Otake, Ken-ichi, Islamoglu, Timur, and Farha, Omar K.. Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs. United States: N. p., Web. doi:10.1039/c8ce00992a.
Drout, Riki J., Howarth, Ashlee J., Otake, Ken-ichi, Islamoglu, Timur, & Farha, Omar K.. Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs. United States. doi:10.1039/c8ce00992a.
Drout, Riki J., Howarth, Ashlee J., Otake, Ken-ichi, Islamoglu, Timur, and Farha, Omar K.. 2018. "Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs". United States. doi:10.1039/c8ce00992a.
@article{osti_1468444,
title = {Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs},
author = {Drout, Riki J. and Howarth, Ashlee J. and Otake, Ken-ichi and Islamoglu, Timur and Farha, Omar K.},
abstractNote = {Strict monitoring and control of selenium concentrations in freshwater supplies is critical to safeguarding human health and aquatic life. A handful of previously investigated sorbents exhibit noteworthy gravimetric (mg g-1) Se uptake capacities; however, often display insufficient volumetric (mg cm-3) capacities, thereby requiring large volumes of material for commercial implementation. In this paper, in pursuit of mitigating this material inefficiency, we investigated the selenite (SeO32-) and selenate (SeO42-) affinity of MOF-808, a Zr-based metal–organic framework with a high density of potential Se oxyanion binding sites. MOF-808 recorded exceptional volumetric and gravimetric Se oxyanion capacities of 133 mg g-1 (127 mg cm-3) and 118 mg g-1 (112 mg cm-3) for aqueous selenite and selenate, respectively. Single-crystal X-ray diffraction studies revealed that selenite and selenate can bind at the MOF node via two distinct binding motifs, an η2μ2 motif in which the oxyanion coordinates to two different metal atoms in a single node, and a μ2 motif in which the oxyanion interacts with only a single metal atom. Finally and furthermore, powder X-ray diffraction (PXRD) patterns and N2 adsorption/desorption isotherms confirm the retention of bulk crystallinity and porosity after the uptake of Se oxyanions.},
doi = {10.1039/c8ce00992a},
journal = {CrystEngComm},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}

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