Calculation of the ring-current shifts of nuclear magnetic resonance signals caused by aromatic ligands in metal complexes
- 1 January 1990
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 1,p. 13-14
- https://doi.org/10.1039/dt9900000013
Abstract
Current-loop calculation has been carried out to estimate the n.m.r. ring-current shifts of protons of 1,10-phenanthroline (phen) ligands in [Co(phen)m(en)3 –m]3+(en = 1,2-ethanediamine; m= 1–3). Comparison of the calculated and observed shifts demonstrated that the calculation correctly predicts the upfield shift of an n.m.r. signal of a proton caused by aromatic ligands in a metal complex.Keywords
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