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A family of externally-functionalised coordination cages

DOI: 10.3390/chemistry3040088 DOI Help

Authors: Garrett D. Jackson (University of Warwick) , Max B. Tipping (University of Warwick) , Christopher G. P. Taylor (University of Warwick) , Jerico R. Piper (University of Warwick) , Callum Pritchard (University of Warwick) , Cristina Mozaceanu (University of Warwick) , Michael D. Ward (University of Warwick)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemistry , VOL 3 , PAGES 1203 - 1214

State: Published (Approved)
Published: October 2021
Diamond Proposal Number(s): 19876

Open Access Open Access

Abstract: New synthetic routes are presented to derivatives of a (known) M8L12 cubic coordination cage in which a range of different substituents are attached at the C4 position of the pyridyl rings at either end of the bis(pyrazolyl-pyridine) bridging ligands. The substituents are (i) –CN groups (new ligand LCN), (ii) –CH2OCH2–CCH (containing a terminal alkyne) groups (new ligand LCC); and (iii) –(CH2OCH2)3CH2OMe (tri-ethyleneglycol monomethyl ether) groups (new ligand LPEG). The resulting functionalised ligands combine with M2+ ions (particularly Co2+, Ni2+, Cd2+) to give isostructural [M8L12]16+ cage cores bearing 24 external functional groups; the cages based on LCN (with M2+ = Cd2+) and LCC (with M2+ = Ni2+) have been crystallographically characterised. The value of these is twofold: (i) exterior nitrile or alkene substituents can provide a basis for further synthetic opportunities via ‘Click’ reactions allowing in principle a diverse range of functionalisation of the cage exterior surface; (ii) the exterior –(CH2OCH2)3CH2OMe groups substantially increase cage solubility in both water and in organic solvents, allowing binding constants of cavity-binding guests to be measured under an increased range of conditions.

Journal Keywords: coordination cage; crystal structure; host-guest chemistry

Subject Areas: Chemistry

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 19/10/2021 08:24

Discipline Tags:

Chemistry Organometallic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)