1. Institute of Chemical Research of Catalonia

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We work in trying to understand molecular self-assembly processes as a methodology to construct large and functional multimolecular assemblies. A second area of our interest resides in the design and application of molecular containers. These are molecules or supramolecules that are sufficiently large to include or encapsulate other molecules. We investigate the effect that the confinement of molecules in reduced nanoscopic spaces may have in their chemical behaviour. We also use these molecular containers as new physical organic chemistry tools to quantify weak intermolecular interactions.

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CAVITANDS_INWARDLY_DIRECTED_ACID DOI: 10.19061/iochem-bd-1-398

No other publication derived

Octa-imine Bis-calix[4]pyrrole Cage DOI: 10.19061/iochem-bd-1-358

This dataset derived results are published in:

Manuscript title: Acceleration and Selectivity of 1,3-Dipolar Cycloaddition Reactions Included in a Polar [4 + 2] Octa-imine Bis-calix[4]pyrrole Cage

DOI: 10.1021/jacsau.4c01118

octa-imine_cage_2 DOI: 10.19061/iochem-bd-1-388

Dataset collection of DFT calculations of structures of homo- and hetero- ternary complexes of octa-imine cage with 4-azido(alkyl)-pyridine-N-oxides, 1-(2-propynyl)-4(1H)-pyridinone, 1:1 complexes of octa-imine cage with 1,4- and 1,5-disubstituted triazole products, and optimized transition state geometries leading to the two isomeric complexes with trizole isomers 7b and 8b.

This dataset derived results are published in:

Manuscript title: Acceleration and Regioselectivity Switching in 1,3-Dipolar Cycloaddition Reactions Confined in A Bis-Calix[4]pyrrole Cage

Journal: Chemical Science Chem. Sci.

DOI: 10.1039/D5SC03033A

Rotaxane_2

This dataset derived results are published in:

Manuscript title: Selective binding of nitrate by a neutral bis(calix[4]pyrrole) [2]rotaxane

DOI: 10.1039/d4qo01190b

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