Infrared Photodissociation Spectroscopy of Fluoride-Anion Hexafluoroisopropanol Complexes: Solvation-Suppressed Proton Transfer.

ABSTRACT: We characterize the interaction in fluoride-anion complexes with up to three hexafluoroisopropanol (HFIP) molecules using gas-phase ion vibrational spectroscopy combined with electronic structure calculations and an energy decomposition analysis. Infrared photodissociation spectra (1000-3350 cm^-1) of D₂-tagged [F, (HFIP)_n]^- complexes with n = 1-3 allow for a detailed characterization of the extent of charge transfer and hence the extent of proton transfer in these prototypical systems. The OH stretching frequency for n = 1 is observed at 1436 cm^-1. This dramatic red-shift Δν_OH by more than 2230 cm^-1 relative to that of free HFIP is associated with the presence of a very strong, single-well ion

SUBMITTER: Barp M 

PROVIDER: S-EPMC12278305 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature