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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: Fuchs, Kathleen (Author) , Rivero, Samara M. (Author) , Weidlich, Anna (Author) , Rominger, Frank (Author) , Israel, Noel (Author) , Popov, Alexey A. (Author) , Dreuw, Andreas (Author) , Freudenberg, Jan (Author) , Casado, Juan (Author) , Bunz, Uwe H. F. (Author)
Format: Database Research Data
Language:English
Published: Heidelberg Universität 2023-05-31
DOI:10.11588/data/QO118B
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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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Summary: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.
Item Description:Gefördert durch: Deutsche Forschungsgemeinschaft (SFB) 1249 and grant PO 1602/11-1 to AAP; Spanish Ministry of Science, Innovation and Universities MCIU, project MINECO/FEDER and the Junta de Andalucía (PROYEXCEL-0328); Research Central Services (SCAI) of the university of Málaga
Gesehen am 02.04.2024
Physical Description:Online Resource
DOI:10.11588/data/QO118B

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