1. Novel type of magnetic response in carbon nanomaterials
- Author
-
Liviu F. Chibotaru, Steven Compernolle, and Arnout Ceulemans
- Subjects
polycyclic aromatic-hydrocarbons ,Condensed matter physics ,Field (physics) ,Chemistry ,General Physics and Astronomy ,nmr chemical-shifts ,anisotropy ,diamagnetism ,Quantum chemistry ,Magnetic field ,Magnetization ,Diamagnetism ,Molecule ,Molecular orbital ,molecules ,Physical and Theoretical Chemistry ,Ring current ,currents - Abstract
We report quantum chemistry investigations of the magnetic response of large polycyclic hydrocarbons to a high magnetic field. In strong fields the magnetisation vs. field of nanosize molecules becomes strongly non-monotonic. For nanographenes containing thousands of atoms this effect develops at ca. 10(1)-10(2) T. It is related to the motion of vortices in the frontier molecular orbitals and transformations of ring current patterns. The described phenomenon is general, in principle observable in all conjugated planar nanosize molecules. (c) 2006 Elsevier B.V. All rights reserved. ispartof: Chemical Physics Letters vol:428 issue:1 pages:119-124 status: published
- Published
- 2006