Research ArticleChemistry

Isolation of the simplest hydrated acid

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Science Advances  21 Apr 2017:
Vol. 3, no. 4, e1602833
DOI: 10.1126/sciadv.1602833

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Abstract

Dissociation of an acid molecule in aqueous media is one of the most fundamental solvation processes but its details remain poorly understood at the distinct molecular level. Conducting high-pressure treatments of an open-cage fullerene C70 derivative with hydrogen fluoride (HF) in the presence of H2O, we achieved an unprecedented encapsulation of H2O·HF and H2O. Restoration of the opening yielded the endohedral C70s, that is, (H2O·HF)@C70, H2O@C70, and HF@C70 in macroscopic scales. Putting an H2O·HF complex into the fullerene cage was a crucial step, and it would proceed by the synergistic effects of “pushing from outside” and “pulling from inside.” The structure of the H2O·HF was unambiguously determined by single crystal x-ray diffraction analysis. The nuclear magnetic resonance measurements revealed the formation of a hydrogen bond between the H2O and HF molecules without proton transfer even at 140°C.

Keywords
  • hydrogen fluoride
  • water
  • hydration
  • encapsulation
  • fullerene
  • open-cage fullerene
  • molecular surgery
  • single crystal x-ray analysis
  • NMR

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