Dimerization of a reactive azaacene diradical: synthesis of a covalent azaacene cage [data]
Two series of regioisomeric dicyanomethylene substituted dithienodiazatetracenes with formal para- or ortho- quinodimethane subunits were synthesized and characterized. Whereas the para-isomers (p-n, diradical index y0=0.01) are stable and isolable, the ortho-isomer (y0=0.98) dimerizes into a covale...
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| Main Authors: | , , , , , , , , , |
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| Format: | Database Research Data |
| Language: | English |
| Published: |
Heidelberg
Universität
2023-05-31
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| DOI: | 10.11588/data/QO118B |
| Subjects: | |
| Online Access: | Resolving-System, kostenfrei, Volltext: https://doi.org/10.11588/data/QO118B Verlag, kostenfrei, Volltext: https://heidata.uni-heidelberg.de/dataset.xhtml?persistentId=doi:10.11588/data/QO118B 
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| Author Notes: | Kathleen Fuchs, Samara Medina Rivero, Anna Weidlich, Frank Rominger, Noel Israel, Alexey A. Popov, Andreas Dreuw, Jan Freudenberg, Juan Casado, Uwe H.F. Bunz |
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| 520 | |a Two series of regioisomeric dicyanomethylene substituted dithienodiazatetracenes with formal para- or ortho- quinodimethane subunits were synthesized and characterized. Whereas the para-isomers (p-n, diradical index y0=0.01) are stable and isolable, the ortho-isomer (y0=0.98) dimerizes into a covalent azaacene cage. Four elongated σ-CC bonds are formed and the former triisopropylsilyl(TIPS)-ethynylene groups transformed into cumulene-units. The azaacene cage dimer (o-1)2 was characterized by X-ray single crystal structure analysis and temperature-dependent infrared (IR), electron paramagnetic resonance (EPR, solid state), nuclear magnetic resonance (NMR) and ultraviolet-visible (UV-Vis) spectroscopies (solution) indicating reformation of o-1. | ||
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