Shedding Light on Structure–Property Relationships
for Conjugated Microporous Polymers: The Importance of Rings and Strain
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Abstract
The photophysical properties of insoluble
porous pyrene networks,
which are central to their function, differ strongly from those of
analogous soluble linear and branched polymers and dendrimers. This
can be rationalized by the presence of strained closed rings in the
networks. A combined experimental and computational approach was used
to obtain atomic scale insight into the structure of amorphous conjugated
microporous polymers. The optical absorption and fluorescence spectra
of a series of pyrene-based materials were compared with theoretical
time-dependent density functional theory predictions for model clusters.
Comparison of computation and experiment sheds light on the probable
structural chromophores in the various materials