Absorbate-induced piezochromism in a porous molecular crystal

Christopher H. Hendon, Kate E. Wittering, Teng Hao Chen, Watchareeya Kaveevivitchai, Ilya Popov, Keith T. Butler, Chick C. Wilson, Dyanne L. Cruickshank, Ognjen S. Miljanić, Aron Walsh

Research output: Contribution to journalArticle

  • 21 Citations

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.

LanguageEnglish
Pages2149-2154
Number of pages6
JournalNano Letters
Volume15
Issue number3
DOIs
StatusPublished - 11 Mar 2015

Fingerprint

Molecular crystals
Gases
crystals
gases
Toluene
Light absorption
Chemical properties
Electronic structure
chemical properties
contraction
contaminants
toluene
optical absorption
selectivity
electronic structure
porosity
shift
electronics

Keywords

  • bathochromism
  • density functional theory
  • molecular crystal
  • Piezochromism

Cite this

Hendon, C. H., Wittering, K. E., Chen, T. H., Kaveevivitchai, W., Popov, I., Butler, K. T., ... Walsh, A. (2015). Absorbate-induced piezochromism in a porous molecular crystal. Nano Letters, 15(3), 2149-2154. https://doi.org/10.1021/acs.nanolett.5b00144

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 journalArticle

Hendon, CH, Wittering, KE, Chen, TH, Kaveevivitchai, W, Popov, I, Butler, KT, Wilson, CC, Cruickshank, DL, Miljanić, OS & Walsh, A 2015, 'Absorbate-induced piezochromism in a porous molecular crystal' Nano Letters, vol. 15, no. 3, pp. 2149-2154. https://doi.org/10.1021/acs.nanolett.5b00144
Hendon CH, Wittering KE, Chen TH, Kaveevivitchai W, Popov I, Butler KT et al. Absorbate-induced piezochromism in a porous molecular crystal. Nano Letters. 2015 Mar 11;15(3):2149-2154. https://doi.org/10.1021/acs.nanolett.5b00144
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. / Absorbate-induced piezochromism in a porous molecular crystal. In: Nano Letters. 2015 ; Vol. 15, No. 3. pp. 2149-2154.
@article{a9c833769b7e4227b5da26bcbb7d180c,
title = "Absorbate-induced piezochromism in a porous molecular crystal",
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.",
keywords = "bathochromism, density functional theory, molecular crystal, Piezochromism",
author = "Hendon, {Christopher H.} and Wittering, {Kate E.} and Chen, {Teng Hao} and Watchareeya Kaveevivitchai and Ilya Popov and Butler, {Keith T.} and Wilson, {Chick C.} and Cruickshank, {Dyanne L.} and Miljanić, {Ognjen S.} and Aron Walsh",
year = "2015",
month = "3",
day = "11",
doi = "10.1021/acs.nanolett.5b00144",
language = "English",
volume = "15",
pages = "2149--2154",
journal = "Nano Letters",
issn = "1530-6984",
publisher = "American Chemical Society",
number = "3",

}

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.

KW - bathochromism

KW - density functional theory

KW - molecular crystal

KW - Piezochromism

UR - http://www.scopus.com/inward/record.url?scp=84924546197&partnerID=8YFLogxK

UR - http://dx.doi.org/10.1021/acs.nanolett.5b00144

U2 - 10.1021/acs.nanolett.5b00144

DO - 10.1021/acs.nanolett.5b00144

M3 - Article

VL - 15

SP - 2149

EP - 2154

JO - Nano Letters

T2 - Nano Letters

JF - Nano Letters

SN - 1530-6984

IS - 3

ER -