Supramolecular confinement as a tool to control the dynamic molecular assembly of o-nitrosocumene in water

Warning

This publication doesn't include Institute of Computer Science. It includes Faculty of Science. Official publication website can be found on muni.cz.

Authors	PRADEEP Anu ROGERS Cory H. VARADHARAJAN Ramkumar KELLEY S. Ariel MAREK Radek BLACKSTOCK Silas C. RAMAMURTHY Vaidhyanathan
Year of publication	2025
Type	Article in Periodical
Magazine / Source	CHEMICAL COMMUNICATIONS
MU Faculty or unit	Faculty of Science
Citation
web	DOI: 10.1039/D5CC04999G
Doi	https://doi.org/10.1039/D5CC04999G
Keywords	molecular assembly; supramolecular; NMR spectroscopy; cavitand; capsule
Description	The results presented here collectively illustrate that in addition to temperature and concentration, macrocyclic hosts cucurbiturils, cyclodextrins, and octa acid can be employed to manipulate the complex equilibria of ortho-nitrosocumene monomers (M), dimers (D), and their non-covalent aggregates (A) in water. The extent and location of free space and the micropolarity of the reaction cavity are important in controlling the dynamics of the guests confined in the octa acid capsule to fully tilt the M–D equilibrium towards M, even when two M are packed in a single capsule.
Related projects:	Relativistic Spin-Orbit Effects in Molecular Structure and NMR Spectroscopy