Abstract
Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid-gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the presence of the analyte. In this report, we present a combined experimental and theoretical rationalization for the piezochromic response of a robust and porous molecular crystal built from an extensively fluorinated trispyrazole. The electronic response of the material is directly determined by analyte uptake, which provokes a subtle lattice contraction and an observable bathochromic shift in the optical absorption onset. Selectivity for fluorinated absorbates is demonstrated, and toluene is also found to crystallize within the pore. Furthermore, we demonstrate the application of electronic structure calculations to predict a physicochemical response, providing the foundations for the design of electronically tunable porous solids with the chemical properties required for development of novel gas-uptake media.
| Original language | English |
|---|---|
| Pages (from-to) | 2149-2154 |
| Number of pages | 6 |
| Journal | Nano letters |
| Volume | 15 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2015 Mar 11 |
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All Science Journal Classification (ASJC) codes
- Bioengineering
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics
- Mechanical Engineering
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Absorbate-induced piezochromism in a porous molecular crystal. / Hendon, Christopher H.; Wittering, Kate E.; Chen, Teng Hao; Kaveevivitchai, Watchareeya; Popov, Ilya; Butler, Keith T.; Wilson, Chick C.; Cruickshank, Dyanne L.; Miljanić, Ognjen S.; Walsh, Aron.
In: Nano letters, Vol. 15, No. 3, 11.03.2015, p. 2149-2154.Research output: Contribution to journal › Article
TY - JOUR
T1 - Absorbate-induced piezochromism in a porous molecular crystal
AU - Hendon, Christopher H.
AU - Wittering, Kate E.
AU - Chen, Teng Hao
AU - Kaveevivitchai, Watchareeya
AU - Popov, Ilya
AU - Butler, Keith T.
AU - Wilson, Chick C.
AU - Cruickshank, Dyanne L.
AU - Miljanić, Ognjen S.
AU - Walsh, Aron
PY - 2015/3/11
Y1 - 2015/3/11
N2 - Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid-gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the presence of the analyte. In this report, we present a combined experimental and theoretical rationalization for the piezochromic response of a robust and porous molecular crystal built from an extensively fluorinated trispyrazole. The electronic response of the material is directly determined by analyte uptake, which provokes a subtle lattice contraction and an observable bathochromic shift in the optical absorption onset. Selectivity for fluorinated absorbates is demonstrated, and toluene is also found to crystallize within the pore. Furthermore, we demonstrate the application of electronic structure calculations to predict a physicochemical response, providing the foundations for the design of electronically tunable porous solids with the chemical properties required for development of novel gas-uptake media.
AB - Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid-gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the presence of the analyte. In this report, we present a combined experimental and theoretical rationalization for the piezochromic response of a robust and porous molecular crystal built from an extensively fluorinated trispyrazole. The electronic response of the material is directly determined by analyte uptake, which provokes a subtle lattice contraction and an observable bathochromic shift in the optical absorption onset. Selectivity for fluorinated absorbates is demonstrated, and toluene is also found to crystallize within the pore. Furthermore, we demonstrate the application of electronic structure calculations to predict a physicochemical response, providing the foundations for the design of electronically tunable porous solids with the chemical properties required for development of novel gas-uptake media.
UR - http://www.scopus.com/inward/record.url?scp=84924546197&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84924546197&partnerID=8YFLogxK
U2 - 10.1021/acs.nanolett.5b00144
DO - 10.1021/acs.nanolett.5b00144
M3 - Article
AN - SCOPUS:84924546197
VL - 15
SP - 2149
EP - 2154
JO - Nano Letters
JF - Nano Letters
SN - 1530-6984
IS - 3
ER -