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Part 1: Document Description
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Citation |
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Title: |
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data] |
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Identification Number: |
doi:10.11588/data/JCO0E4 |
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Distributor: |
heiDATA |
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Date of Distribution: |
2023-02-06 |
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Version: |
1 |
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Bibliographic Citation: |
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, 2023, "The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data]", https://doi.org/10.11588/data/JCO0E4, heiDATA, V1 |
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Citation |
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Title: |
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine [NMR data] |
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Identification Number: |
doi:10.11588/data/JCO0E4 |
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Authoring Entity: |
Zhu Wu (Julius-Maximilians-Universitäẗ Würzburg) |
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Nikolai Hippchen (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Jie Han (Interdisziplinares Zentrum für Wissenschaftliches Rechnen and Physikalisch-Chemisches Institut) |
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Lei Ji (Julius-Maximilians-Universitäẗ Würzburg) |
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Alexandra Friedrich (Julius-Maximilians-Universitäẗ Würzburg) |
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Ivo Krummenacher (Julius-Maximilians-Universitäẗ Würzburg) |
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Holger Braunschweig (Julius-Maximilians-Universitäẗ Würzburg) |
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Johannes Krebs (Julius-Maximilians-Universitäẗ Würzburg) |
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Michael Moos (Julius-Maximilians-Universitäẗ Würzburg) |
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Philipp Biegger (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Olena Tverskoy (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Steffen Maier (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Christoph Lambert (Julius-Maximilians-Universitäẗ Würzburg) |
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Andreas Dreuw (Interdisziplinares Zentrum für Wissenschaftliches Rechnen and Physikalisch-Chemisches Institut) |
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Todd B. Marder (Julius-Maximilians-Universitäẗ Würzburg) |
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Jan Freudenberg (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Uwe H. F. Bunz (Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg) |
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Grant Number: |
SFB 1249 |
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Grant Number: |
SFB 1249 |
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Grant Number: |
22101130 |
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Grant Number: |
22101130 |
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Distributor: |
heiDATA |
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Access Authority: |
Nikolai Hippchen |
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Holdings Information: |
https://doi.org/10.11588/data/JCO0E4 |
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Study Scope |
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Keywords: |
Chemistry, azaacene, biphenylene, dianion |
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Abstract: |
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. |
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Kind of Data: |
NMR Data |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine; 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 and Uwe H. F. Bunz, 2023, The Journal of Organic Chemistry Article ASAP |
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Identification Number: |
10.1021/acs.joc.2c02279 |
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Bibliographic Citation: |
The Radical Anion and Dianion of Benzo[3,4]cyclobuta[1,2-b]phenazine; 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 and Uwe H. F. Bunz, 2023, The Journal of Organic Chemistry Article ASAP |
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Label: |
HeiData_Biphenylene.zip |
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Notes: |
application/zip |