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Recolector de Ciencia Abierta, RECOLECTA
Article . 2004 . Peer-reviewed
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Recolector de Ciencia Abierta, RECOLECTA
Article . 2011 . Peer-reviewed
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Organic & Biomolecular Chemistry
Article . 2004
Data sources: Europe PubMed Central
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Homoheteroaromaticity: the case study of azepine and dibenzazepine.

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2004 English Publisher:Royal Society of Chemistry (UK)Journal:Organic & biomolecular chemistry, volume 2 (issn: 1477-0520, Copyright policy )
Authors: Dardonville, Christophe; Jimeno, M. Luisa; Alkorta, Ibon; Elguero, José;

pmid: 15162209

handle: 10261/34914

Homoheteroaromaticity: the case study of azepine and dibenzazepine.

Abstract

Geometrical and energetic DFT calculations as well as GIAO and NICS chemical shifts have been calculated for 1H-azepine and 5H-dibenz[b, f]azepine and their cations. The last compound has been studied experimentally by 1H and 13C NMR in neutral and acidic conditions establishing that the cation corresponds to an N-protonated structure. The conclusion is that the neutral molecules are antiaromatic while the cations are aromatic (homoheteroaromaticity).

Financial support was provided by the Spanish DGICYT (Project nos. SAF2003-08003-C02-02 and BQU-2000-0906). C. D. is a recipient of a postdoctoral fellowship from the Spanish Ministerio de Educación, Cultura y Deporte (SB2001-0174).

Peer reviewed

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Keywords

1H-azepine, 5H-dibenz[b, f]azepine

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
24
Top 10%
Top 10%
Top 10%
Green