The Role of Ion Size and π-Interaction in Stabilizing Calix[4]arene Crown Ether Metal Complexes.

ABSTRACT: This study systematically investigates the influence of ion size on the structure and stability of complexes formed between the calix[4]arene crown ether 1,3-alt-25,27-bis(3,7- dimethyloctyl-1-oxy)calix[4]arenebenzocrown-6 (MAXCalix) and mono- and divalent ions from the alkali and alkaline earth metal series. NMR spectroscopy studies revealed that while MAXCalix efficiently coordinates large ions such as Cs⁺, it also forms complexes with smaller ions like Na⁺, highlighting the ligand's versatility. The size of the ion directly influences the complex structure, with two distinct structural subtypes identified via NMR and DFT calculations. In addition, π-interactions between the cation and the cation-facing benzene rings of the calix[4]arene backbone play an important r

SUBMITTER: Sittel T 

PROVIDER: S-EPMC12271986 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature