Effect on pKa of metal-bound water molecules in lanthanide ion-induced cyclen "cavities"

Thorfinnur Gunnlaugsson; Dermot F Brougham; Ann-Marie Fanning; Mark Nieuwenhuyzen; John E O'Brien; Romain Viguier

doi:10.1021/ol048628s

Effect on pKa of metal-bound water molecules in lanthanide ion-induced cyclen "cavities"

Org Lett. 2004 Dec 23;6(26):4805-8. doi: 10.1021/ol048628s.

Authors

Thorfinnur Gunnlaugsson¹, Dermot F Brougham, Ann-Marie Fanning, Mark Nieuwenhuyzen, John E O'Brien, Romain Viguier

Affiliation

¹ Department of Chemistry, Trinity College Dublin, Dublin 2, Ireland. [email protected]

PMID: 15606071
DOI: 10.1021/ol048628s

Abstract

[reaction: see text] The macrocyclic cyclen conjugates 1-4 were synthesized with the aim of forming lanthanide ion-based macrocyclic conjugates possessing deep cavities, formed upon complexation to various lanthanide ions. These complexes all possess metal-bound water molecules, where the pKa of the water molecules depends on the nature of the cavity.