1 research outputs found
Absorbate-Induced Piezochromism in a Porous Molecular Crystal
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