Literature DB >> 29712401

Counter-Rotating Ring Currents in Coronene and Corannulene.

Erich Steiner1, Patrick W Fowler1, Leonardus W Jenneskens2.   

Abstract

Explicit ab initio current-density maps contradict the annulene-within-an-annulene model of [n]circulenes: in both coronene and corannulene the expected diamagnetic current on the perimeter is opposed by the central, paramagnetic ring current.
© 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Entities:  

Keywords:  ab initio calculations; annulenes; magnetic properties; ring currents

Year:  2001        PMID： 29712401     DOI： 10.1002/1521-3773(20010119)40:2<362::AID-ANIE362>3.0.CO;2-Z

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  4 in total

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