The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data]

DOI

The data set includes the NMR data for the puplication: "The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine".

We present the reduction of two azaarenes, featuring a single cyclobutadiene unit, to their radical anions and dianions. The reduced species were prepared with potassium naphthalenide in the presence of 18-crown-6 in THF. The crystal structures of the reduced representatives were obtained and their optoelectronic properties were evaluated. The charge of these 4n-Hückel systems leads to dianionic 4n+2 π-electron systems with enhanced antiaromaticity according to NICS(1.7)ZZ calculations, which exhibit unusually red-shifted absorption spectra.

Identifier
DOI https://doi.org/10.11588/data/JCO0E4
Related Identifier https://doi.org/10.1021/acs.joc.2c02279
Metadata Access https://heidata.uni-heidelberg.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.11588/data/JCO0E4
Provenance
Creator Zhu Wu; Nikolai Hippchen; Jie Han; Lei Ji; Alexandra Friedrich; Ivo Krummenacher; Holger Braunschweig; Johannes Krebs; Michael Moos; Philipp Biegger; Olena Tverskoy; Steffen Maier; Christoph Lambert; Andreas Dreuw; Todd B. Marder; Jan Freudenberg; Uwe H. F. Bunz
Publisher heiDATA
Contributor Nikolai Hippchen
Publication Year 2023
Funding Reference Deutsche Forschungsgemeinschaft SFB 1249 ; China Scholarship Council ; National Natural Science Foundation of China 22101130 ; Xiaomi Youth Scholar�Technology Innova- tion Award, 2022−2024
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Nikolai Hippchen (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg)
Representation
Resource Type NMR Data; Dataset
Format application/zip
Size 4641755
Version 1.1
Discipline Chemistry; Natural Sciences