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Title: Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework

Abstract

Here, the efficiency of physisorption-based separation of gas-mixtures depends on the selectivity of adsorbent which is directly linked to size, shape, polarizability and other physical properties of adsorbed molecules. Commensurate adsorption is an interesting and important adsorption phenomenon, where the adsorbed amount, location, and orientation of an adsorbate are commensurate with the crystal symmetry of the adsorbent. Understanding this phenomenon is important and beneficial as it can provide vital information about adsorbate–adsorbent interaction and adsorption–desorption mechanism. So far, only sporadic examples of commensurate adsorption have been reported in porous materials such as zeolites and metal organic frameworks (MOFs). In this work we show for the first time direct structural evidence of commensurate-to-incommensurate transition of linear hydrocarbon molecules (C 2–C7) in a microporous MOF, by employing a number of analytical techniques including single crystal X-ray diffraction (SCXRD), in situ powder X-ray diffraction coupled with differential scanning calorimetry (PXRD-DSC), gas adsorption and molecular simulations.

Authors:
 [1];  [1];  [1];  [2];  [3];  [1];  [2];  [1];  [1];  [2];  [1]
  1. Rutgers Univ., Piscataway, NJ (United States)
  2. Stony Brook Univ., Stony Brook, NY (United States)
  3. Micromeritics Instrument Corp., Norcross, GA (United States)
Publication Date:
Research Org.:
Univ. of Texas, Dallas, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1435588
Grant/Contract Number:  
FG02-08ER46491
Resource Type:
Accepted Manuscript
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Banerjee, Debasis, Wang, Hao, Gong, Qihan, Plonka, Anna M., Jagiello, Jacek, Wu, Haohan, Woerner, William R., Emge, Thomas J., Olson, David H., Parise, John B., and Li, Jing. Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework. United States: N. p., 2015. Web. doi:10.1039/c5sc03685b.
Banerjee, Debasis, Wang, Hao, Gong, Qihan, Plonka, Anna M., Jagiello, Jacek, Wu, Haohan, Woerner, William R., Emge, Thomas J., Olson, David H., Parise, John B., & Li, Jing. Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework. United States. doi:10.1039/c5sc03685b.
Banerjee, Debasis, Wang, Hao, Gong, Qihan, Plonka, Anna M., Jagiello, Jacek, Wu, Haohan, Woerner, William R., Emge, Thomas J., Olson, David H., Parise, John B., and Li, Jing. Tue . "Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework". United States. doi:10.1039/c5sc03685b. https://www.osti.gov/servlets/purl/1435588.
@article{osti_1435588,
title = {Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework},
author = {Banerjee, Debasis and Wang, Hao and Gong, Qihan and Plonka, Anna M. and Jagiello, Jacek and Wu, Haohan and Woerner, William R. and Emge, Thomas J. and Olson, David H. and Parise, John B. and Li, Jing},
abstractNote = {Here, the efficiency of physisorption-based separation of gas-mixtures depends on the selectivity of adsorbent which is directly linked to size, shape, polarizability and other physical properties of adsorbed molecules. Commensurate adsorption is an interesting and important adsorption phenomenon, where the adsorbed amount, location, and orientation of an adsorbate are commensurate with the crystal symmetry of the adsorbent. Understanding this phenomenon is important and beneficial as it can provide vital information about adsorbate–adsorbent interaction and adsorption–desorption mechanism. So far, only sporadic examples of commensurate adsorption have been reported in porous materials such as zeolites and metal organic frameworks (MOFs). In this work we show for the first time direct structural evidence of commensurate-to-incommensurate transition of linear hydrocarbon molecules (C2–C7) in a microporous MOF, by employing a number of analytical techniques including single crystal X-ray diffraction (SCXRD), in situ powder X-ray diffraction coupled with differential scanning calorimetry (PXRD-DSC), gas adsorption and molecular simulations.},
doi = {10.1039/c5sc03685b},
journal = {Chemical Science},
number = 1,
volume = 7,
place = {United States},
year = {2015},
month = {10}
}

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Cited by: 12 works
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