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Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain.

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.

SUBMITTER: Zwijnenburg MA 

PROVIDER: S-EPMC3805316 | biostudies-other | 2013 Oct

REPOSITORIES: biostudies-other

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Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain.

Zwijnenburg Martijn A MA   Cheng Ge G   McDonald Tom O TO   Jelfs Kim E KE   Jiang Jia-Xing JX   Ren Shijie S   Hasell Tom T   Blanc Frédéric F   Cooper Andrew I AI   Adams Dave J DJ  

Macromolecules 20130916 19

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 py  ...[more]