<div class="csl-bib-body">
<div class="csl-entry">Glöcklhofer, F. (2023, June 14). <i>Aromaticity and (concealed) antiaromaticity in the design of organic functional materials: Theory, synthesis, and applications in battery electrodes</i> [Presentation]. Chemisches Institutskolloquium 2023, Berlin, Germany.</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/192551
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dc.description.abstract
The literature reports numerous molecules that are claimed to be antiaromatic because of a formal 4n π-electron system. However, this neglects the actual local aromaticity of the molecules, which often feature multiple subunits with [4n+2] π-electrons besides the formal 4n π-electron system. This has led to considerable criticism from those who believe that the term antiaromatic should not be used for any molecule with a formal 4n π-electron system but should be reserved for truly antiaromatic molecules. To reconcile the different viewpoints, I recently introduced the term and conceptual framework of concealed antiaromaticity.1 Concealed antiaromaticity acknowledges that many molecules claimed to be antiaromatic are not truly antiaromatic, but they can exhibit behaviour under certain conditions that would normally be expected for antiaromatic molecules. Three types of concealed antiaromaticity are distinguished based on the conditions under which the molecules can behave like antiaromatic molecules: concealed antiaromaticity revealable in redox reactions (Type I-CA), upon photoexcitation (Type II-CA), and in intermolecular interactions (Type III-CA).
The concept of concealed antiaromaticity enables the rational design of organic materials that show the desirable properties of antiaromatic molecules under the different conditions, with applications from organic electronics to photoresponsive materials, while avoiding the low stability of truly antiaromatic molecules. The concept will be presented in the context of our work on conjugated macrocycles, including their application in battery electrodes.
en
dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.language.iso
en
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dc.subject
Aromaticity
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dc.subject
Antiaromaticity
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dc.subject
Macrocycles
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dc.subject
Organic Functional Materials
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dc.subject
Organic Battery Electrodes
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dc.title
Aromaticity and (concealed) antiaromaticity in the design of organic functional materials: Theory, synthesis, and applications in battery electrodes
en
dc.type
Presentation
en
dc.type
Vortrag
de
dc.relation.grantno
J4463-N
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dc.type.category
Presentation
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tuw.publication.invited
invited
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tuw.project.title
Konjugierte Makrocyclen für Batterieelektroden
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tuw.researchTopic.id
E3
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tuw.researchTopic.id
C1
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tuw.researchTopic.id
M4
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tuw.researchTopic.name
Climate Neutral, Renewable and Conventional Energy Supply Systems
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tuw.researchTopic.name
Computational Materials Science
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tuw.researchTopic.name
Non-metallic Materials
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tuw.researchTopic.value
20
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tuw.researchTopic.value
20
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tuw.researchTopic.value
60
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tuw.publication.orgunit
E163-03-2 - Forschungsgruppe Molekulare Chemie und Chemische Biologie
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tuw.author.orcid
0000-0002-6911-8563
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tuw.event.name
Chemisches Institutskolloquium 2023
de
tuw.event.startdate
14-06-2023
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tuw.event.enddate
14-06-2023
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tuw.event.online
On Site
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tuw.event.type
Event for scientific audience
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tuw.event.place
Berlin
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tuw.event.country
DE
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tuw.event.institution
Institut für Chemie, Humboldt-Universität zu Berlin
