The search result changed since you submitted your search request. Documents might be displayed in a different sort order.
  • search hit 30 of 299
Back to Result List

Spatial magnetic properties subject to lone pair and pi electron delocalization in benzenoid and quinoid structures are quinoid tautomers really nonaromatic?

  • The spatial magnetic properties, through-space NMR shieldings (TSNMRS), of benzenoid and quinoid tautomeric structures such as benzodifurantrione and phenazine-type molecules have been calculated using the GIAO perturbation method employing the nucleus independent chemical shift (NICS) concept of Paul von Rague Schleyer and visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction. The TSNMRS values were employed to quantify and visualize the partial aromaticity of the studied compounds. In the case of the surprisingly more stable quinoid tautomers, the aromaticity-synonymous with stability due to the conjugation of p electrons and lone pairs-was not found to be particularly reduced.

Export metadata

Additional Services

Search Google Scholar Statistics
Metadaten
Author details:Erich KleinpeterORCiDGND, Andreas KochORCiDGND
ISSN:1551-7004
Title of parent work (English):Arkivoc : free online journal of organic chemistry
Publisher:ARKAT
Place of publishing:Gainesville
Publication type:Article
Language:English
Year of first publication:2012
Publication year:2012
Release date:2017/03/26
Tag:GIAO; NICS; Through-space NMR shieldings (TSNMRS); aromaticity; benzenoid structures; quinoid structures
Number of pages:15
First page:94
Last Page:108
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer review:Referiert
Accept ✔
This website uses technically necessary session cookies. By continuing to use the website, you agree to this. You can find our privacy policy here.