Diazadiboraacenes : Synthesis, Spectroscopy and Computations
© 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH..
The incorporation of heteroatoms into hydrocarbon compounds greatly expands the chemical space of molecular materials. In this context, B-N doping takes a center stage due to its isosterism with a C=C-bond. Herein, we present a new and modular synthetic concept to access novel diazadiborabenzo[b]triphenylenes 7 a-h using the B-N doped biradical 16 as intermediate. Characterization of the photophysical properties revealed the emission spectra of the diazadibora benzo[b]triphenylenes 7 a-h can conveniently be tuned by small changes of the substitution on the boron-atom. All of the diazadibora compounds show a short life-time phosphorescence. Additionally, we were able to rationalize the excited-state relaxation of the diazadiboraacene 7 a via intersystem crossing by quantum chemical calculations. The new synthetic strategy provides an elegant route to various novel B-N doped acenes with great potential for applications in molecular materials.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:62 |
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| Enthalten in: |
Angewandte Chemie (International ed. in English) - 62(2023), 15 vom: 03. Apr., Seite e202300785 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Ruhl, Julia [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 27.03.2023 Date Revised 27.03.2023 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1002/anie.202300785 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 245 | 1 | 0 | |a Diazadiboraacenes |b Synthesis, Spectroscopy and Computations |
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| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH. | ||
| 520 | |a The incorporation of heteroatoms into hydrocarbon compounds greatly expands the chemical space of molecular materials. In this context, B-N doping takes a center stage due to its isosterism with a C=C-bond. Herein, we present a new and modular synthetic concept to access novel diazadiborabenzo[b]triphenylenes 7 a-h using the B-N doped biradical 16 as intermediate. Characterization of the photophysical properties revealed the emission spectra of the diazadibora benzo[b]triphenylenes 7 a-h can conveniently be tuned by small changes of the substitution on the boron-atom. All of the diazadibora compounds show a short life-time phosphorescence. Additionally, we were able to rationalize the excited-state relaxation of the diazadiboraacene 7 a via intersystem crossing by quantum chemical calculations. The new synthetic strategy provides an elegant route to various novel B-N doped acenes with great potential for applications in molecular materials | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Acenes | |
| 650 | 4 | |a Boron | |
| 650 | 4 | |a Nitrogen | |
| 650 | 4 | |a Phosphorescence | |
| 650 | 4 | |a Polycycles | |
| 700 | 1 | |a Oberhof, Nils |e verfasserin |4 aut | |
| 700 | 1 | |a Dreuw, Andreas |e verfasserin |4 aut | |
| 700 | 1 | |a Wegner, Hermann A |e verfasserin |4 aut | |
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