From benzodithiophene to diethoxy-benzodithiophene covalent organic frameworks - structural investigations
The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. Here we present a novel π-stacked thiophene-based COF containing a benzodithiophene building unit modified with ethoxy side chain...
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| Published in | CrystEngComm Vol. 18; no. 23; pp. 4295 - 432 |
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| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
01.01.2016
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1466-8033 1466-8033 |
| DOI | 10.1039/c6ce00193a |
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| Abstract | The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. Here we present a novel π-stacked thiophene-based COF containing a benzodithiophene building unit modified with ethoxy side chains. The resulting BDT-OEt COF is a crystalline mesoporous material featuring high surface area and accessible hexagonal pores. We further synthesized a series of COFs containing both BDT and BDT-OEt building units at different ratios. The impact of the gradual incorporation of the BDT-OEt building units into the COF backbone on the crystallinity and porosity was investigated. Furthermore, molecular dynamic simulations shed light on the possible processes governing the COF assembly from molecular building blocks.
The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. |
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| AbstractList | The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. Here we present a novel π-stacked thiophene-based COF containing a benzodithiophene building unit modified with ethoxy side chains. The resulting BDT-OEt COF is a crystalline mesoporous material featuring high surface area and accessible hexagonal pores. We further synthesized a series of COFs containing both BDT and BDT-OEt building units at different ratios. The impact of the gradual incorporation of the BDT-OEt building units into the COF backbone on the crystallinity and porosity was investigated. Furthermore, molecular dynamic simulations shed light on the possible processes governing the COF assembly from molecular building blocks.
The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. The incorporation of side groups into a covalent organic framework (COF) backbone can be of significant importance for developing new frameworks with enhanced properties. Here we present a novel pi -stacked thiophene-based COF containing a benzodithiophene building unit modified with ethoxy side chains. The resulting BDT-OEt COF is a crystalline mesoporous material featuring high surface area and accessible hexagonal pores. We further synthesized a series of COFs containing both BDT and BDT-OEt building units at different ratios. The impact of the gradual incorporation of the BDT-OEt building units into the COF backbone on the crystallinity and porosity was investigated. Furthermore, molecular dynamic simulations shed light on the possible processes governing the COF assembly from molecular building blocks. |
| Author | Lohse, Maria S Rotter, Julian M Clark, Timothy Werner, Veronika Medina, Dana D Herbert, Simon Bein, Thomas Margraf, Johannes T Becker, Matthias Knochel, Paul |
| AuthorAffiliation | University of Munich (LMU) Computer-Chemie-Centrum Friedrich-Alexander-University Erlangen-Nürnberg (FAU) Department of Chemistry and Center for NanoScience (CeNS) |
| AuthorAffiliation_xml | – sequence: 0 name: University of Munich (LMU) – sequence: 0 name: Computer-Chemie-Centrum – sequence: 0 name: Friedrich-Alexander-University Erlangen-Nürnberg (FAU) – sequence: 0 name: Department of Chemistry and Center for NanoScience (CeNS) |
| Author_xml | – sequence: 1 givenname: Maria S surname: Lohse fullname: Lohse, Maria S – sequence: 2 givenname: Julian M surname: Rotter fullname: Rotter, Julian M – sequence: 3 givenname: Johannes T surname: Margraf fullname: Margraf, Johannes T – sequence: 4 givenname: Veronika surname: Werner fullname: Werner, Veronika – sequence: 5 givenname: Matthias surname: Becker fullname: Becker, Matthias – sequence: 6 givenname: Simon surname: Herbert fullname: Herbert, Simon – sequence: 7 givenname: Paul surname: Knochel fullname: Knochel, Paul – sequence: 8 givenname: Timothy surname: Clark fullname: Clark, Timothy – sequence: 9 givenname: Thomas surname: Bein fullname: Bein, Thomas – sequence: 10 givenname: Dana D surname: Medina fullname: Medina, Dana D |
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| Notes | 11 Electronic supplementary information (ESI) available: BDT-OEt structure simulations, MD simulations, nitrogen sorption isotherms and pore size distribution calculations; SEM and TEM images; TGA traces; FT-IR spectra 1 13 H NMR spectra of dissolved COFs. See DOI B and C solid-state NMR spectra of BDT-OEt 10.1039/c6ce00193a ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
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| Title | From benzodithiophene to diethoxy-benzodithiophene covalent organic frameworks - structural investigations |
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