Naslov
One- and Two-Dimensional HMQC Experiment in Determination of Isotope Effects on Spin-Spin Coupling Constants

Autori
Novak, Predrag ; Meić, Zlatko ; Sterk, Heinz

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts / Kraeutler, Bernhard - Innsbruck : University of Innsbruck, 1996

Skup
2. Igler NMR Tage. Perspectives in NMR Spectroscopy

Mjesto i datum
Innsbruck, Austrija, 08.02.1996. - 09.02.1996

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Sažetak
Intrinsic isotope effects have gained much interest when powerful high-resolution NMR spectrometers became available. Deuterium induces the largest changes in NMR spectral parameters and thus the majority of investigations are devoted to deuterium isotope effects. However, data on isotope effects on spin-spin coupling constants are rather scarce, mainly due to the relatively small changes in coupling constants upon isotopic substitution and complexity of the NMR spectra arising from higher-order effects.To circumvent this problem in deuteriated cis- and trans-stilbene, we applied one- and two-dimensional inverse (1H detected) heteronuclear multiple quantum correlation experiment, as well as the program for spectral calculation (PANIC). Deuterium-induced isotope effects on spin-spin coupling constants in cis- and trans-stilbene showed a conformational dependence. Changes in relative rotamer populations associated with different dihedral angles and bonds and vibrational averaging over these account for the measured isotope effects.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA