98%
921
2 minutes
20
Coordination cages can be used for enantio- and regioselective catalysis and for the selective sensing and separation of isomeric guest molecules. Here, stereoisomers of a family of coordination cages are resolved using ultra-high-resolution cyclic ion-mobility mass spectrometry (cIM-MS). The observed ratio of diastereomers is dependent on both the metal ion and counter ion. Moreover, the point groups can be assigned through complementary NMR experiments. This method enables the identification and interrogation of the individual isomers in complex mixtures of cages which cannot be performed in solution. Furthermore, these techniques allow the stability of individual isomers within the mixture to be probed, with the T-symmetric isomers in this case shown to be more robust than the C and S analogues.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1002/anie.202302229 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
September 2025
University of the Free State, Chemistry Department, Bloemfontein, South Africa.
The crystal structure of a nitrate anion caged in spherical vanadium and oxygen structure surrounded by sodium hy-droxy and water solvent mol-ecules, systematic name poly[[hepta-deca-aqua-tetra-deca-oxidonona-sodium][penta-cosa-aqua-nitratoundeca-oxido-penta-deca-vanadium]], HNNaOV is reported. The complex crystallizes in the non-centrosymmetric space group and exhibits many inter- and intra-molecular hydrogen-bonding inter-actions. The complex contains V and V centres, which are six-coordinate or octa-hedrally coordinated.
View Article and Find Full Text PDFNatl Sci Rev
September 2025
Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710127, China.
Precision in controlling the microenvironment of nanospaces is a potent strategy for exploring architecture‒function relationships. Herein, a face-capped tetrahedral cage, featuring Pd‒Pd-bonded vertices, with a tailored nanospace surrounded by 12 ethyl units, was facilitated to adaptively accommodate a library of guests with different sizes and shapes, including C6 cyclic hydrocarbons, adamantane derivatives, S and P. This nanocavity can achieve strong binding with cyclohexane in non-aqueous media in contrast to reported structurally similar non--functionalized cages by an increase of four orders of magnitude.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2025
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, G1 1RX, UK.
Porous metal-organic polyhedra (MOPs) have strong covalent and coordinate bonds that define the intrinsic pore of the cage. The intermolecular interactions between cages tend to be weaker, such that they rearrange during the solvent exchange process preceding gas sorption measurements. The reduction in crystal size that this often causes limits the availability of structural data that could enable understanding of observed gas uptake.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
STFC Scientific Computing Department, Daresbury Laboratory, Keckwick Lane, Daresbury, Warrington, WA4 4AD, UK.
Silica polymorphs and zeolites are fundamental to a wide range of mineralogical and industrial applications owing to their diverse structural characteristics and thermodynamic and mechanical stability under varying conditions. Computational modelling has played a crucial role in understanding the relationship between the structure and functionality of silicas and silicates, including zeolites. In this study, we apply the MACE machine learnt interatomic potentials (MACE MP) to model the framework energies of siliceous zeolites and examine the phase transitions of silica and silicalite polymorphs under high-pressure conditions.
View Article and Find Full Text PDFDalton Trans
August 2025
Key Laboratory of Green Chemistry and Technology of Ministry of Education, College of Chemistry, Sichuan University, 29 Wangjiang Road, Chengdu 610064, P. R. China.
Optimizing artificial receptors requires precise control over binding motif identity, quantity and spatial distribution. These parameters are notoriously difficult to coordinate in conventional systems. To address this challenge, we developed a complementary dual-cage platform (PdAB/PdAB) enabling systematic cavity engineering through site-selective -functionalization of heteroleptic metal-organic cages.
View Article and Find Full Text PDF