UNIGE document Scientific Article
previous document  unige:3708  next document
add to browser collection

Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components

Seifert, Gotthard
Schleyer, Paul von Ragué
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.
Full text
Research group Groupe Weber
(ISO format)
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. doi: 10.1039/b313383b https://archive-ouverte.unige.ch/unige:3708

366 hits

0 download


Deposited on : 2009-10-06

Export document
Format :
Citation style :