Author, as appears in the article.: Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo;

Department: Química Analítica i Química Orgànica

URV's Author/s: Sun, Qingqing

Keywords: Affinity Binding Capsules Complex Design Metallo-cavitand Molecular encapsulation Recognition Selectivity

Abstract: Coordination cages containing endohedrally functionalized aromatic cavities are scarce in the literature. Herein, we report the self-assembly of a tetra-cationic super aryl-extended calix[4]pyrrole tetra-pyridyl ligand into a water-soluble Pd(ii)-cage featuring two endohedral polar binding sites. They are defined by the four pyrrole NHs of the calix[4]pyrrole unit and the four inwardly directed alpha-protons of the coordinated pyridyl groups. The efficient assembly of the Pd(ii)-cage requires the inclusion of mono- and ditopic pyridyl N-oxide and aliphatic formamide guests. The monotopic guests only partially fill the cage's cavity and require the co-inclusion of a water molecule that is likely hydrogen-bonded to the endohedral alpha-pyridyl protons. The ditopic guests are able to completely fill the cage's cavity and complement both binding sites. We observed high conformational selectivity in the inclusion of the isomers of alpha,omega-bis-formamides. We briefly investigate the uptake and release mechanism/kinetics of selected polar guests by the Pd(ii)-cage using pair-wise competition experiments.

Thematic Areas: Astronomia / física Chemistry (miscellaneous) Chemistry, multidisciplinary Ciências biológicas i Ciências biológicas iii Farmacia General chemistry Interdisciplinar Materiais Química

licence for use: https://creativecommons.org/licenses/by/3.0/es/

Author's mail: qingqing.sun@estudiants.urv.cat

Author identifier: 0000-0002-5088-1243

Record's date: 2021-11-07

Papper version: info:eu-repo/semantics/publishedVersion

Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2021/SC/D1SC03751J

Papper original source: Chemical Science. 12 (40): 13469-13476

APA: Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo; (2021). Self-assembly of a water-soluble endohedrally functionalized coordination cage including polar guests. Chemical Science, 12(40), 13469-13476. DOI: 10.1039/d1sc03751j

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Article's DOI: 10.1039/d1sc03751j

Entity: Universitat Rovira i Virgili

Journal publication year: 2021

Publication Type: Journal Publications