Quantifying hexafluoroisopropanol's hydrogen bond donor ability: infrared photodissociation spectroscopy of halide anion HFIP complexes.

ABSTRACT: We report on the gas phase vibrational spectroscopy (3500-950 cm^-1) of halide anion complexes with 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and its partially deuterated analogue (HFIP-d ₁). Infrared photodissociation spectra of messenger-tagged X^-(HFIP/HFIP-d ₁), with X^- = Cl^-, Br^-, and I^-, together with electronic structure calculations reveal O-H(D) stretching fundamentals that are red-shifted twice as much as those for the corresponding complexes with isopropanol and water, directly reflecting HFIP's enhanced hydrogen-bond donor ability. The harmonic analysis of the bands in the fingerprint region reveals that HFIP assumes a synperiplanar conformation in the complexes. The consideration

SUBMITTER: Barp M 

PROVIDER: S-EPMC11838612 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature