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Interaction of octyl‐phenyl‐N,N‐diisobutylcarbamoylmethylphosphine oxide (CMPO, the ‘classical’ rare metal extraction agent) with fully ionized hydrated protons (HP) was studied in acetonitrile‐d3 using 1H, 13C, 31P NMR, PFG NMR and magnetic relaxation. The experimental results were confronted with high‐precision ab initio DFT calculations. Relative chemical shifts of NMR signals of CMPO (0.01 mol/L)...
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