TY  - JOUR
A1  - Kleinpeter, Erich
A1  - Koch, Andreas
T1  - The anisotropic effect of functional groups in 1H NMR spectra is the molecular response property of spatial NICS-the frozen conformational equilibria of 9-arylfluorenes
N2  - Rotation about the single bond adjoining the aryl and fluorene moieties in 9-arylfluorenes can be frozen out on the NMR timescale if methyl groups are located at either one or both of the ortho positions of the aryl substituent. In the ground-state of these rotamers, the planes of the aryl and fluorene moieties are perpendicular to each other and the methyl protons are either shielded or deshielded, respectively, due to the ringe current effect of the fluorene moiety. This anisotropic effect on the 1H chemical shifts of the methyl protons has been quantified on the basis of through- space NMR shieldings (TSNMRS) and subsequently _______ compared with the experimentally observed chemical shift differences _____. In this context, the experimental anisotropic effects of functional groups in the !H NMR have proven to quantitatively be the molecular response property of theoretical spatial nucleus independent chemical shieldings (NICS). Differences between _______ and _____ were, for the first time, also quantified as arising from steric compression.
Y1  - 2011
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/33966
UR  - http://www.sciencedirect.com/science/article/pii/S0040402011008507 (13.9.13)
SN  - 0040-4020
ER  -