Interplay Between Stereochemically Active Lone Pair Repulsions, Sigma Hole Interactions, and Delocalized Redox Processes in Topochemical Fluoride-Ion Insertion.

ABSTRACT: Topochemical insertion/extraction of cations has emerged as a generalizable strategy for modulating the crystal and electronic structure of periodic solids. In contrast, strategies for topochemical anion insertion are poorly explored and fundamental principles for designing insertion hosts to accommodate anions remain scarce. Here, we observe reversible room-temperature fluoride-ion insertion within tunnels of Sn₂TiO₄ defined by the stereochemical expression of Sn 5s² lone pairs. X-ray scattering studies of fluoride-ion-insertion-induced crystal structure modulation and X-ray absorption/emission spectroscopy probes of electronic structure along with magnetic susceptibility measurements and first-principles calculations are used to decipher design principles

SUBMITTER: Pakhira A 

PROVIDER: S-EPMC12338408 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature