Other version: http://pubs.rsc.org/ej/CP/2004/b313383b.pdf?&Yr=2004&VOLNO=%26nbsp%3B%3Cb%3E6%3C%2Fb%3E&Fp=273&Ep=276&JournalCode=CP&...
Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components
|Published in||Physical Chemistry Chemical Physics. 2004, vol. 6, no. 2, p. 273-276|
|Abstract||The components of nucleus-independent chemical shift (NICS) tensors for D[nh]n-annulenes are discussed as indexes of the aromatic character of electronic [pi] systems. The component corresponding to the principal axis perpendicular to the ring plane, NICS[zz], is found to be a good measure for the characterisation of the [pi] system of the ring. Isotropic NICS values at ring centres contain large influences from the [omicron] system and from all three principal components of the NICS tensor. At large distances away from the ring center, NICS[zz], which is dominated by contributions from the [pi] system, characterizes NICS well.|
|Research group||Groupe Weber|
|CORMINBOEUF, Anne-Clémence et al. Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components. In: Physical Chemistry Chemical Physics, 2004, vol. 6, n° 2, p. 273-276. https://archive-ouverte.unige.ch/unige:3708|