Zwijnenburg, MA;
Cheng, G;
McDonald, TO;
Jelfs, KE;
Jiang, J-X;
Ren, S;
Hasell, T;
... Adams, DJ; + view all
(2013)
Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain.
Macromolecules
, 46
(19)
7696 - 7704.
10.1021/ma401311s.
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![[thumbnail of GIF Scheme 1. Structure of (a) Pyrene with Positional Numbering System; (b) Idealized Structure of Polypyrene CMP Network; (c) 1,3-Linear Pyrene Polymer; (d) 1,8-Linear Pyrene Polymer; (e) Py(5) Dendrimera]](https://discovery.ucl.ac.uk/1416557/3/ma-2013-01311s_0005.gif)  Preview |
Other (GIF Scheme 1. Structure of (a) Pyrene with Positional Numbering System; (b) Idealized Structure of Polypyrene CMP Network; (c) 1,3-Linear Pyrene Polymer; (d) 1,8-Linear Pyrene Polymer; (e) Py(5) Dendrimera)
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![[thumbnail of GIF Scheme 2. Synthesis of an “Expanded” Pyrene CMP, ECMP]](https://discovery.ucl.ac.uk/1416557/4/ma-2013-01311s_0006.gif)  Preview |
Other (GIF Scheme 2. Synthesis of an “Expanded” Pyrene CMP, ECMP)
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![[thumbnail of GIF Figure 1. Experimental fluorescence spectra for the 1,3-linear pyrene polymer (purple), Py(5) pyrene dendrimer (blue), SCMP (cast film green, precipitated film orange), ECMP (light red) and CMP (dark red), clearly showing the red shift in the spectra.]](https://discovery.ucl.ac.uk/1416557/5/ma-2013-01311s_0001.gif)  Preview |
Other (GIF Figure 1. Experimental fluorescence spectra for the 1,3-linear pyrene polymer (purple), Py(5) pyrene dendrimer (blue), SCMP (cast film green, precipitated film orange), ECMP (light red) and CMP (dark red), clearly showing the red shift in the spectra.)
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![[thumbnail of GIF Figure 2. Comparison of the experimental (solid lines) and TD-CAM-B3LYP predicted absorption (dashed lines) and fluorescence (insert) spectra of 1,3-linear pyrene polymer (purple) and the Py(5) pyrene dendrimer (blue)]](https://discovery.ucl.ac.uk/1416557/6/ma-2013-01311s_0002.gif)  Preview |
Other (GIF Figure 2. Comparison of the experimental (solid lines) and TD-CAM-B3LYP predicted absorption (dashed lines) and fluorescence (insert) spectra of 1,3-linear pyrene polymer (purple) and the Py(5) pyrene dendrimer (blue))
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![[thumbnail of GIF Figure 3. DFT-optimized lowest energy configurations of 4LLLL, 4SSSS and 4LSLS rings (atoms represented as blue spheres indicate where the rings would connect to the rest of the amorphous pyrene network in the pyrene CMP/ECMP)]](https://discovery.ucl.ac.uk/1416557/7/ma-2013-01311s_0003.gif)  Preview |
PDF (GIF Figure 3. DFT-optimized lowest energy configurations of 4LLLL, 4SSSS and 4LSLS rings (atoms represented as blue spheres indicate where the rings would connect to the rest of the amorphous pyrene network in the pyrene CMP/ECMP))
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![[thumbnail of GIF Figure 4. DFT-optimized lowest energy configurations of the 4SSSS2 and 4SSSS3 conformers (4SSSS1 shown in Figure 3).]](https://discovery.ucl.ac.uk/1416557/8/ma-2013-01311s_0004.gif)  Preview |
PDF (GIF Figure 4. DFT-optimized lowest energy configurations of the 4SSSS2 and 4SSSS3 conformers (4SSSS1 shown in Figure 3).)
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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.
| Type: | Article |
|---|---|
| Title: | Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/ma401311s |
| Publisher version: | http://dx.doi.org/10.1021/ma401311s |
| Language: | English |
| Additional information: | © 2013 American Chemical Society This is an open-access article distributed under the terms of the Creative Commons Attribution License[http://creativecommons.org/licenses/by/4.0/], which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1416557 |
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