Electrostatic atlas of non-covalent interactions built into metal-organic frameworks.

ABSTRACT: Non-covalent interactions are central to the organization of matter and molecular recognition processes, yet they are difficult to characterize. Here we devise a platform strategy to systematically build non-covalent interactions with selective chemical groups into precisely designed configurations by using metal-organic frameworks (MOFs) as the molecular scaffold. Using the vibrational Stark effect benchmarked against computer models, we find the electric field provides a unifying metric for quantifying diverse non-covalent interactions in MOFs and solvation environments. We synthesize and analyse spectroscopically a collection of non-covalent interactions using a nitrile probe within the MOF structure, and identify stabilizing fields as strong as -123 MV cm^-1 produced additive

SUBMITTER: Ji Z 

PROVIDER: S-EPMC12473737 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature