TY  - BOOK
A1  - Kleinpeter, Erich
T1  - NMR-Spektoskopie : Struktur, Dynamik und Chemie des Moleküls
Y1  - 1992
PB  - Barth
CY  - Leipzig
ER  - 
TY  - BOOK
A1  - Pihlaja, Kalevi
A1  - Kleinpeter, Erich
T1  - 13C NMR chemical shifts in structural and stereochemical analysis
T3  - Methods in stereochemical analysis
Y1  - 1994
PB  - VCH
CY  - New York
ER  - 
TY  - BOOK
A1  - Kleinpeter, Erich
A1  - Klod, Sabrina
A1  - Koch, Andreas
T1  - Endohedral and external through-space shieldings of the fullerenes C50, C60, C60-6, C70, and C70-6- visualization of (Anti)aromaticity and their effects on the chemical shifts of encapsulated nuclei
N2  - Endohedral and external through-space NMR shieldings (TSNMRS) and the magnetic susceptibilities of the fullerene carbon cages of C50, C60, C60-6, C70, and C70-6 were assessed by ab initio molecular orbital calculations. Employing the nucleus-independent chemical shift (NICS) concept, these TSNMRS were visualized as isochemical shielding surfaces (ICSS) and were applied to quantitatively estimate either the aromaticity or the anti-aromaticity on the fullerene surface pertaining to the five- or six-membered ring moieties and the shielding of any nuclei enclosed within the carbon cages. Differences between the NICSs calculated at the center of the fullerene carbon cages and the experimental chemical shifts of encapsulated NMR-active nuclei as well as experimental shieldings observed for different encapsulated nuclei were able to be understood readily for the first time.
Y1  - 2008
UR  - http://pubs.acs.org/doi/full/10.1021/jo702316h
U6  - https://doi.org/10.1021/jo702316h
ER  -