Cyclopentannulated Dihydrotetraazapentacenes [Data]

DOI

The transition-metal catalyzed cyclization of bissilylethynylated N,N’-dihydro¬tetra¬aza¬pentacene (TIPS-TAP-H2) into bissilylated cyclo¬penta¬[fg,qr]¬pentacenes is reported. Depending on the catalyst either none, one or two silyl groups migrate and change their positions in the formed five-membered rings. The optoelectronic properties are quite similar, whereas the packing motifs differ dramatically. Control experiments and quantum chemical calculations were performed to investigate the mechanism of the reaction and the selectivity of the silyl shift.

Identifier
DOI https://doi.org/10.11588/data/PZGMSS
Related Identifier https://doi.org/10.1002/chem.202104203
Metadata Access https://heidata.uni-heidelberg.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.11588/data/PZGMSS
Provenance
Creator Maier, Steffen; Heckershoff, Robin; Wurm, Thomas; Biegger, Philipp; Brödner, Kerstin; Krämer, Petra; Hoffmann, Marvin; Eberle, Lukas; Stein, Jana; Rominger, Frank; Rudolph, Matthias; Freudenberg, Jan; Dreuw, Andreas; Hashmi, Stephen; Bunz, Uwe
Publisher heiDATA
Contributor Maier, Steffen
Publication Year 2022
Funding Reference DFG SFB 1249
Rights info:eu-repo/semantics/openAccess
OpenAccess true
Contact Maier, Steffen (OCI, Universität Heidelberg)
Representation
Resource Type Dataset
Format application/zip
Size 325482123
Version 1.1
Discipline Chemistry; Natural Sciences