Inducing Curvature to Pyracylene upon π‐Expansion
Abstract: We disclose a successive π‐expansion of pyracylene towards boat‐shaped polycyclic scaffolds. The unique structural features of the resulting compounds were revealed by X‐ray crystallographic analysis. Depending on the extent of π‐expansion the compounds display intense bathochromically shifted absorption bands in their UV/Vis spectra and are prone to several redox events as documented by cyclic voltammetry. The experimental observations are in line with the computational studies based on density functional theory, suggesting progressive narrowing of the HOMO–LUMO gap and distinct evolution of the electronic structure and aromaticity.
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Bibliographic citation
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Inducing Curvature to Pyracylene upon π‐Expansion ; day:06 ; month:07 ; year:2022 ; extent:1
Chemistry - a European journal ; (06.07.2022) (gesamt 1)
- Creator
- DOI
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10.1002/chem.202201554
- URN
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urn:nbn:de:101:1-2022070615164611403217
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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15.08.2025, 7:27 AM CEST
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Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Bergner, John
- Walla, Christian
- Rominger, Frank
- Dreuw, Andreas
- Kivala, Milan
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Development and Application of Hermitian Methods for Molecular Properties and Excited Electronic States
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Development and Implementation of High-Level Propagator Methods for the Description of Electronically Stable and Unstable States
Development of a modular quantum-chemistry framework for the investigation of novel basis functions
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