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Nuclear magnetic resonance and potentiometric studies of the protonation scheme of a triaza triacetic macrocycle and its complexes with lanthanum and lutetium

Journal Article · · Inorg. Chem.; (United States)
DOI:https://doi.org/10.1021/ic00217a034· OSTI ID:5895018
The protonation constants of the macrocyclic ligand 1,4,7-triazacyclononane-N,N',N''-triacetic acid (NOTA) have been measured by potentiometry, and the protonation sequence of the various amino and carboxylate groups of NOTA has been studied in D/sub 2/O as a function of pD from the chemical shifts of the nonlabile protons. Shielding constants for protonation of the amino groups were determined in a NMR study of the triaza macrocyclic amine, its trimethylated analogue, and NOTA and compared with values reported for linear polyamino polycarboxylates and cyclic tetraaza tetracarboxylate ligands. The results indicate that two nitrogens of NOTA are protonated at higher pH than the carboxylate groups. The last nitrogen is protonated only at very low pH. The sequence of protonation of NOTA supports the formation of hydrogen bonds between two protonated nitrogens and the adjacent two nonprotonated carboxylates. The /sup 1/H and /sup 13/C spectra of the La(NOTA) and Lu(NOTA) species were studied as a function of pH and temperature. 33 references, 5 figures, 4 tables.
Research Organization:
Univ. of Coimbra, Portugal
OSTI ID:
5895018
Journal Information:
Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 24:23; ISSN INOCA
Country of Publication:
United States
Language:
English