Quenching of photoluminescence in a Zn-MOF sensor by nitroaromatic molecules

Jensen, S.; Tan, K.; Lustig, W.; Kilin, D.; Li, J.; Chabal, Y. J.; Thonhauser, T.

doi:10.1039/c8tc06281a

Title: Quenching of photoluminescence in a Zn-MOF sensor by nitroaromatic molecules

Journal Article · 04 February 2019 · Journal of Materials Chemistry C

DOI: https://doi.org/10.1039/c8tc06281a · OSTI ID:1609991

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Wake Forest Univ., Winston-Salem, NC (United States). Dept. of Physics. Center for Functional Materials; DOE/OSTI
Univ. of Texas at Dallas, Richardson, TX (United States). Dept. of Materials Science and Engineering
Rutgers Univ., Piscataway, NJ (United States). Dept. of Chemistry and Chemical Biology
North Dakota State Univ., Fargo, ND (United States). Dept. of Chemistry and Biochemistry
Wake Forest Univ., Winston-Salem, NC (United States). Dept. of Physics. Center for Functional Materials

We uncover the exact mechanisms that lead to a quenching of the photoluminescence in a Zn-based metal organic framework (MOF) material upon nitroaromatic molecule adsorption. We present evidence based on ab initio simulations, coupled with in situ IR spectroscopy and photoluminescence measurements, showing that quenching occurs as the result of a shift of the lowest unoccupied orbital from the MOF host to the guest molecule. Our results provide a mechanistic understanding of quenching of photoluminescence in MOFs and are of importance for chemical sensing applications, where they aid the design of novel MOFs with increased sensing selectivity.

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Research Organization:: Univ. of Texas at Dallas, Richardson, TX (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-08ER46491

OSTI ID:: 1609991

Journal Information:: Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Journal Issue: 9 Vol. 7; ISSN 2050-7526

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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