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The opposite effects of sodium and potassium cations on water dynamics.


ABSTRACT: Water rotational dynamics in NaSCN and KSCN solutions at a series of concentrations are investigated using femtosecond infrared spectroscopy and theory. Femtosecond infrared measurements, consistent with previous NMR observations, detect that sodium slows down while potassium accelerates the water O-H bond rotation. Results of reported neutron scattering measurements, on the other hand, suggested that these two cations have similar structure-breaking effects on water, and therefore should both accelerate water rotation through the presumably dominating large-amplitude angular jump component. To explain this discrepancy, theoretical studies with both classical and ab initio models were carried out, which indicate that both ions indeed accelerate the large-amplitude angular jump rotation of the water molecules, while the observed cation specific effect originates from the non-negligible opposite impact of the sodium and potassium cations on the diffusive rotation of water molecules.

SUBMITTER: Zhang Q 

PROVIDER: S-EPMC5390786 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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The opposite effects of sodium and potassium cations on water dynamics.

Zhang Qiang Q   Chen Hailong H   Wu Tianmin T   Jin Tan T   Pan Zhijun Z   Zheng Junrong J   Gao Yiqin Y   Zhuang Wei W  

Chemical science 20161014 2


Water rotational dynamics in NaSCN and KSCN solutions at a series of concentrations are investigated using femtosecond infrared spectroscopy and theory. Femtosecond infrared measurements, consistent with previous NMR observations, detect that sodium slows down while potassium accelerates the water O-H bond rotation. Results of reported neutron scattering measurements, on the other hand, suggested that these two cations have similar structure-breaking effects on water, and therefore should both a  ...[more]

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