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  Cycloarenes, a new class of aromatic compounds, II. molecular structure and spectroscopic properties of kekulene

Staab, H. A., Diederich, F. N., Krieger, C., & Schweitzer, D. (1983). Cycloarenes, a new class of aromatic compounds, II. molecular structure and spectroscopic properties of kekulene. Chemische Berichte, 116(10), 3504-3512. doi:10.1002/cber.19831161022.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0003-48E4-B Version Permalink: https://hdl.handle.net/21.11116/0000-0003-48E5-A
Genre: Journal Article

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ChemBerichte_116_1983_3504.pdf (Any fulltext), 401KB
 
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https://onlinelibrary.wiley.com/doi/epdf/10.1002/cber.19831161022 (Any fulltext)
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 Creators:
Staab, Heinz A.1, Author           
Diederich, Francois Nico2, Author           
Krieger, Claus1, Author           
Schweitzer, Dieter3, Author           
Affiliations:
1Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society, ou_1497706              
2Max Planck Institute for Medical Research, Max Planck Society, ou_1125545              
3Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497705              

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 Abstract: The molecular structure of kekulene (1) was determined by X‐ray structure analysis. From the bond lengths of 1 a remarkable localisation of aromatic sextets and double bonds is concluded (cf. formula 1b). – The problem of annulenoid versus benzenoid diatropicity in 1 is discussed on the basis of 1H NMR absorptions. These data, in agreement with recent theoretical calculations, support a predominant ring‐current induction in the benzenoid subunits of 1 and rule out a significant contribution of annulenoid structures like 1a. – Absorption and emission spectra of 1 are discussed as are the zero‐field splitting parameters of the excited triplet state of 1.

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Language(s): eng - English
 Dates: 1983-05-022006-01-231983-10
 Publication Status: Issued
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cber.19831161022
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Title: Chemische Berichte
  Other : Chem. Ber.
Source Genre: Journal
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Publ. Info: Weinheim : VCH Verlagsgesellschaft mbH
Pages: - Volume / Issue: 116 (10) Sequence Number: - Start / End Page: 3504 - 3512 Identifier: ISSN: 0009-2940
CoNE: https://pure.mpg.de/cone/journals/resource/954926940716