Supramolecular Polymers of Amino Triazines vs. Amino Pyrimidines in Aqueous Solution: How Key Interactions Control their Thermodynamic Stability.

Supramolecular polymers (SPs) based on the stacking of hydrogen-bonded rosettes are attracting increasing attention due to their potential applications as soft materials. However, a detailed description of the interactions that give rise to these one-dimensional architectures is still scarce in the literature. In this work, we use molecular dynamics to analyze in aqueous solution the stability of two SPs based on amino triazines (AT) and amino pyrimidines (AP) modified with a hydrophilic chain of succinic acid (-saH).