Most cited article - PubMed ID 22170494
Computational and experimental evidence of through-space NMR spectroscopic J coupling of hydrogen atoms
Chemistry (Weinheim an der Bergstrasse, Germany).
2012 Jan 16 ;
18 (3) :
981-6.
[epub] 20111214
"Through-space" indirect spin-spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in solution. The coupling pathways have been visualised and analysed by computational methods. The conformational dependence of the coupling is explained in terms of orbital interactions.
- Publication type
- Journal Article MeSH
