Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands. Issue 7 (3rd February 2017)

• Record Type: Journal Article
• Authors: Melgar, Dolores; Bandeira, Nuno A. G.; Bonet Avalos, Josep; Bo, Carles
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 7(2017)
• Page Start: 5343
• Page End: 5350
• Publication Date: 2017-02-03
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp08511c
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The interaction strength between Keplerates and anionic ligands depends on their p K a and solvation/desolvation effects. Abstract : Keplerates are a family of anionic metal oxide spherical capsules containing up to 132 metal atoms and some hundreds of oxygen atoms. These capsules holding a high negative charge of −12 coordinate both mono-anionic and di-anionic ligands thus increasing their charge up to −42, even up to −72, which is compensated by the corresponding counter-cations in the X-ray structures. We present an analysis of the relative importance of several energy terms of the coordinate bond between the capsule and ligands like carbonate, sulphate, sulphite, phosphinate, selenate, and a variety of carboxylates, of which the overriding component is contributed by solvation/de-solvation effects.