Substituent effects on BTP's basicity and complexation properties with LnIII lanthanide ionsElectronic supplementary information (ESI) available: Total energies of neutral, protonated and complexed ligands and structural parameters of the complexes. See DOI: 10.1039/c0nj00527d

Bis(1,2-4 triazin-3-yl)pyridines "BTPs" represent a new class of N-donor extracting agents that separate trivalent actinides and lanthanides from nuclear waste solutions with high An/Ln separation factors. We report here QM calculations on the effect of R para -BTP substituents on the prot...

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Hauptverfasser:	Benay, G, Schurhammer, R, Desaphy, J, Wipff, G
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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