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The opposite effects of sodium and potassium cations on water dynamics

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...

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Autores principales: Zhang, Qiang, Chen, Hailong, Wu, Tianmin, Jin, Tan, Pan, Zhijun, Zheng, Junrong, Gao, Yiqin, Zhuang, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5390786/
https://www.ncbi.nlm.nih.gov/pubmed/28451283
http://dx.doi.org/10.1039/c6sc03320b
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author Zhang, Qiang
Chen, Hailong
Wu, Tianmin
Jin, Tan
Pan, Zhijun
Zheng, Junrong
Gao, Yiqin
Zhuang, Wei
author_facet Zhang, Qiang
Chen, Hailong
Wu, Tianmin
Jin, Tan
Pan, Zhijun
Zheng, Junrong
Gao, Yiqin
Zhuang, Wei
author_sort Zhang, Qiang
collection PubMed
description 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.
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spelling pubmed-53907862017-04-27 The opposite effects of sodium and potassium cations on water dynamics Zhang, Qiang Chen, Hailong Wu, Tianmin Jin, Tan Pan, Zhijun Zheng, Junrong Gao, Yiqin Zhuang, Wei Chem Sci Chemistry 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. Royal Society of Chemistry 2017-02-01 2016-10-14 /pmc/articles/PMC5390786/ /pubmed/28451283 http://dx.doi.org/10.1039/c6sc03320b Text en This journal is © The Royal Society of Chemistry 2016 http://creativecommons.org/licenses/by-nc/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial 3.0 Unported License (http://creativecommons.org/licenses/by-nc/3.0/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Chemistry
Zhang, Qiang
Chen, Hailong
Wu, Tianmin
Jin, Tan
Pan, Zhijun
Zheng, Junrong
Gao, Yiqin
Zhuang, Wei
The opposite effects of sodium and potassium cations on water dynamics
title The opposite effects of sodium and potassium cations on water dynamics
title_full The opposite effects of sodium and potassium cations on water dynamics
title_fullStr The opposite effects of sodium and potassium cations on water dynamics
title_full_unstemmed The opposite effects of sodium and potassium cations on water dynamics
title_short The opposite effects of sodium and potassium cations on water dynamics
title_sort opposite effects of sodium and potassium cations on water dynamics
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5390786/
https://www.ncbi.nlm.nih.gov/pubmed/28451283
http://dx.doi.org/10.1039/c6sc03320b
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