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Ring currents in a proposed system containing planar hexacoordinate carbon, CB(2-)(6).
- Source :
-
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2002 Mar 01; Vol. 8 (5), pp. 1068-73. - Publication Year :
- 2002
-
Abstract
- Current-density maps at the coupled Hartree-Fock level calculated in the CTOCD (continuous transformation of origin of current density) approach demonstrate the magnetic response of the hypothetical planar hexacoordinate carbon species, CB(2-)(6). In contrast with the empty CB(2-)(6) framework, which supports paramagnetic currents, the carbon-containing species has a typical diamagnetic pi-ring current that circulates undisturbed by the central atom. In spite of the unconventional nature of the species, the properties of 6pi CB(2-)(6) and 4pi CB(2-)(6) can be rationalised with the same orbital model that accounts for the diamagnetic pi current of benzene and the paramagnetic pi current of planar cyclooctatetraene.
Details
- Language :
- English
- ISSN :
- 0947-6539
- Volume :
- 8
- Issue :
- 5
- Database :
- MEDLINE
- Journal :
- Chemistry (Weinheim an der Bergstrasse, Germany)
- Publication Type :
- Academic Journal
- Accession number :
- 11891893
- Full Text :
- https://doi.org/10.1002/1521-3765(20020301)8:5<1068::aid-chem1068>3.0.co;2-z