Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds

Physical Chemistry Chemical Physics

5 years ago

Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds

S. A. Pylaeva, D. Sebastiani, H. Elgabarty, P. M. Tolstoy

Asymmetric solvation of FHF^- by halogen- and hydrogen-bonding solvents breaks the symmetry of the anion.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/mW2qwASRiMQ/C7CP04493C

DOI: 2017/CP/C7CP04493C

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