Impact of confinement in multimolecular inclusion compounds of melamine and cyanuric acid

Abstract

Cyanuric acid is shown to be the best supramolecular building block to obtain cage-like clusters. Its triazine ring is also superior to the melamine one for capturing anions as well as cations.

Cavity-based applications of metallo-supramolecular coordination cages (MSCCs)

“…The study of these cavity effects is challenging and has been principally proposed on the grounds of computational studies. 115 The nanoreactors (nanosized reaction vessels) enable these cavity effects to be studied experimentally and they can be used as a sustainable future tool for synthesis by harnessing technique used by enzymes in nature. The reactions studied within these nanovessels are highly accelerated and regio-and enantio-selective.…”

Insights into the Early Stages of Melamine Cyanurate Nucleation from Aqueous Solution

“…The M-CA system is a classical example of molecular self-assembly governed by strong hydrogen bonding and soft π–π interactions (aromatic stacking). The results of the density functional theory (DFT) studies ,− confirm that high stability of the macroscale M-CA crystals is a result of the large number of intermolecular hydrogen bonds formed between M and CA (Figure ), among which N–H···N bonds are almost two times stronger than N–H···O . The most energetically favorable structures are rosette-like patterns, linear tapes, and their combinations .…”

Understanding the Chloride Affinity of Barbiturates for Anion Receptor Design

“…This CA based cylindrophane was able to selectively trap a fluoride ion via anion‐π interactions and hydrogen bonds. In a previous work, we have computationally demonstrated that CA is able to form a hydrogen‐bonded quartet with a cage like structure [14] . We also have shown that this complex can also coordinate a sodium chloride ion pair within its cavity through C=O⋅⋅⋅Na + and π⋅⋅⋅Cl − interactions.…”

“…Good and effective anion receptors are usually macrocycles or systems with a certain cavity [1,4] . It is known from a previous work [14] that CA is able to form a hydrogen‐bonded quartet with a cage‐like structure. Within its cavity, the four CA molecules can hold a NaCl ion pair (see Scheme 3).…”

“…The empirical dispersion correction for the BLYP functional was applied with the IOp 3/124=40 keyword. This functional has shown a reliable performance in hydrogen bonded systems with similar interactions and in the presence of chloride [14,21] . On the basis of the study of Frontera et al [12] .…”