Publications by authors named "Cristina Mozaceanu"
We demonstrate how different modes of guest binding with a CoL cubic cage can be determined using ESI-MS. High stoichiometry guest binding was observed, with the guests preferentially binding externally, but internal guest inclusion was also seen at higher guest loading.
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- The study investigates how different isomeric guest molecules with varying polarities interact with a coordination cage host, focusing on binding contributions.
- It employs advanced analytical techniques to dissect the underlying factors that influence guest binding, aiming to clarify the roles of polarity and sterics.
- The findings provide insights into optimizing host-guest systems for applications in materials science and molecular recognition.
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 (bearing different external substitutents according to solvent used) has been studied in water/dmso (98 : 2) and CDCl. These guests have essentially identical molecular surfaces, volumes and external functional groups to interact with the cage interior surface; but they differ in polarity with dipole moments of 7, 4 and 0 Debye respectively. In CDCl guest binding is weak but we observe a clear correlation of binding free energy with guest polarity, with 1,4-DCB showing no detectable binding by NMR spectroscopy but 1,2-DCB having -Δ = 9 kJ mol.
View Article and Find Full Text PDFInvited for the cover of this issue is the group of Michael D. Ward at the University of Warwick. The image depicts structures of the host cage containing one guest or two guests.
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- A crystallographic study of host-guest complexes in cubic M L coordination cages revealed that some organic guests form unexpected 1:2 complexes instead of the expected 1:1 complexes.
- Despite solution titrations suggesting 1:1 complex formation, further analysis indicated that certain guests can bind in pairs, showcasing complexities in how these interactions are understood.
- This finding not only raises questions about the stoichiometry of supramolecular complexes but also suggests potential changes in the reactivity of the bound guests.