TY - JOUR
T1 - Watching the low-frequency motions in aqueous salt solutions
T2 - The terahertz vibrational signatures of hydrated ions
AU - Funkner, Stefan
AU - Niehues, Gudrun
AU - Schmidt, Diedrich A.
AU - Heyden, Matthias
AU - Schwaab, Gerhard
AU - Callahan, Karen M.
AU - Tobias, Douglas J.
AU - Havenith, Martina
PY - 2012/1/18
Y1 - 2012/1/18
N2 - The details of ion hydration still raise fundamental questions relevant to a large variety of problems in chemistry and biology. The concept of water "structure breaking" and "structure making" by ions in aqueous solutions has been invoked to explain the Hofmeister series introduced over 100 years ago, which still provides the basis for the interpretation of experimental observations, in particular the stabilization/destabilization of biomolecules. Recent studies, using state-of-the-art experiments and molecular dynamics simulations, either challenge or support some key points of the structure maker/breaker concept, specifically regarding long-ranged ordering/disordering effects. Here, we report a systematic terahertz absorption spectroscopy and molecular dynamics simulation study of a series of aqueous solutions of divalent salts, which adds a new piece to the puzzle. The picture that emerges from the concentration dependence and assignment of the observed absorption features is one of a limited range of ion effects that is confined to the first solvation shell.
AB - The details of ion hydration still raise fundamental questions relevant to a large variety of problems in chemistry and biology. The concept of water "structure breaking" and "structure making" by ions in aqueous solutions has been invoked to explain the Hofmeister series introduced over 100 years ago, which still provides the basis for the interpretation of experimental observations, in particular the stabilization/destabilization of biomolecules. Recent studies, using state-of-the-art experiments and molecular dynamics simulations, either challenge or support some key points of the structure maker/breaker concept, specifically regarding long-ranged ordering/disordering effects. Here, we report a systematic terahertz absorption spectroscopy and molecular dynamics simulation study of a series of aqueous solutions of divalent salts, which adds a new piece to the puzzle. The picture that emerges from the concentration dependence and assignment of the observed absorption features is one of a limited range of ion effects that is confined to the first solvation shell.
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U2 - 10.1021/ja207929u
DO - 10.1021/ja207929u
M3 - Article
C2 - 22124334
AN - SCOPUS:84855959282
SN - 0002-7863
VL - 134
SP - 1030
EP - 1035
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 2
ER -