Authors: Suter, Dieter
Paschek, Dietmar
Geiger, Alfons
Herve, Momo J.
Title: Adding salt to an aqueous solution of t-butanol
Other Titles: Is hydrophobic association enhanced or reduced
Language (ISO): en
Abstract: Recent neutron scattering experiments on aqueous salt solutions of amphiphilic t-butanol by Bowron and Finney [Phys. Rev. Lett. 89, 215508 (2002); J. Chem. Phys. 118, 8357 (2003)] suggest the formation of t-butanol pairs, bridged by a chloride ion via O–H[centered ellipsis]Cl– hydrogen bonds, leading to a reduced number of intermolecular hydrophobic butanol-butanol contacts. Here we present a joint experimental/theoretical study on the same system, using a combination of molecular dynamics (MD) simulations and nuclear magnetic relaxation measurements. Both MD simulation and experiment clearly support the more classical scenario of an enhanced number of hydrophobic contacts in the presence of salt, as it would be expected for purely hydrophobic solutes. [T. Ghosh et al., J. Phys. Chem. B 107, 612 (2003)]. Although our conclusions arrive at a structurally completely distinct scenario, the molecular dynamics simulation results are within the experimental error bars of the Bowron and Finney data.
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Issue Date: 2006-04-21
Rights: ©2006 American Institute of Physics
Publisher: American Institute of Physics
Citation: Paschek, D.; Geiger, A.; Herve, M. J.; Suter, D.: Adding salt to an aqueous solution of t-butanol : Is hydrophobic association enhanced or reduced?. In: Journal of Chemical Physics Jg. 124(2006), 154508.
Appears in Collections:Suter, Dieter Prof. Dr.

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