Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities

Abstract

Binding of a set of three isomeric guests (1,2-, 1,3- and 1,4-dicyanobenzene, abbreviated DCB) inside an octanuclear cubic coordination cage host H (bearing different external substitutents according to solvent used)...

A Study on Auto‐Catalysis and Product Inhibition: A Nucleophilic Aromatic Substitution Reaction Catalysed within the Cavity of an Octanuclear Coordination Cage

“…This ratio is consistent with cavity binding, as the exterior surface is large enough to bind more than two guests [12a] . We also know from previous crystallographic studies that many small aromatic guests can bind inside the cavity of H as stacked pairs; [7,14a] and indeed the crystallographic studies discussed below, support formation of an H 1 :G 2 complex (see Figure 11). This guest binding mode is also in agreement with the outcome of the catalysis studies above, that concluded that 2 equivalents of the product DNP prevent the binding of DNFB and thereby inhibits the cage catalysed reaction (Figure 5).…”

Binding modes of high stoichiometry guest complexes with a Co8L12 cage uncovered by mass spectrometry

“…1), based on hydroxymethyl-substituted bis-bidentate ligands (L W ) which span the edges of an approximately cubic array of Co(II) ions, can bind guests internally and externally and is also capable of binding multiple guests. [19][20][21][22] However, multiple guest binding has only been demonstrated using X-ray crystallography and NMR spectroscopy under forcing conditions with a large excess of guest. [19][20][21] Detailed MS studies, which are well suited to studying higher stoichiometry guest binding, have currently not been performed.…”

Binding Modes of High Stoichiometry Guest Complexes with a Co8L12 Cage Uncovered by Mass Spectrometry

“…1), based on hydroxymethyl-substituted bis-bidentate ligands (L W ) which span the edges of an approximately cubic array of Co(II) ions, can bind guests both internally and externally and is also capable of binding multiple guest. [13][14][15][16] However, multiple guest binding has only been demonstrated using X-ray crystallography and NMR spectroscopy under forcing condition with a large excess of guest. [13][14][15] Detailed MS studies, which are well suited to studying higher stoichiometry guest binding, have currently not been performed.…”