TY  - JOUR
A1  - Kleinpeter, Erich
A1  - Laemmermann, Anica
A1  - Kühn, Heiner
T1  - The anisotropic effect of functional groups in H-1 NMR spectra is the molecular response property of spatial nucleus independent chemical shifts (NICS)-Conformational equilibria of exo/endo tetrahydrodicyclopentadiene derivatives
JF  - Organic & biomolecular chemistry : an international journal of synthetic, physical and biomolecular organic chemistry
N2  - The inversion of the flexible five-membered ring in tetrahydrodicyclopentadiene (TH-DCPD) derivatives remains fast on the NMR timescale even at 103 K. Since the intramolecular exchange process could not be sufficiently slowed for spectroscopic evaluation, the conformational equilibrium is thus inaccessible by dynamic NMR. Fortunately, the spatial magnetic properties of the aryl and carbonyl groups attached to the DCPD skeleton can be employed in order to evaluate the conformational state of the system. In this context, the anisotropic effects of the functional groups in the H-1 NMR spectra prove to be the molecular response property of spatial nucleus independent chemical shifts (NICS).
Y1  - 2011
U6  - https://doi.org/10.1039/c0ob00356e
SN  - 1477-0520
VL  - 9
IS  - 4
SP  - 1098
EP  - 1111
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  -