252
Views
5
CrossRef citations to date
0
Altmetric
Articles

Multi-centred hydrogen bonds between water and perchlorate anion

&
Pages 473-481 | Received 16 Jun 2016, Accepted 19 Aug 2016, Published online: 03 Sep 2016

References

  • Omta AW, Kropman MF, Woutersen S, et al. Negligible effect of ions on the hydrogen-bond structure in liquid water. Science. 2003;301:347–349. doi:10.1126/science.1084801.
  • Fecko CJ, Eaves JD, Loparo JJ, et al. Ultrafast hydrogen-bond dynamics in the infrared spectroscopy of water. Science. 2003;301:1698–1702. doi:10.1126/science.1087251.
  • Laage D, Hynes JT. A molecular jump mechanism of water reorientation. Science. 2006;311:832–835. doi:10.1126/science.1122154.
  • Laage D, Hynes JT. Reorientional dynamics of water molecules in anionic hydration shells. Pnas. 2007;104:11167–11172. doi:10.1073/pnas.0701699104.
  • Boisson J, Stirnemann G, Laage D, et al. Water reorientation dynamics in the first hydration shells of F− and I−. Phys Chem Chem Phys. 2011;13:19895–19901. doi:10.1039/c1cp21834d.
  • Nieszporek K, Nieszporek J, Trojak M. Calculations of shear viscosity, electric conductivity and diffusion coefficients of aqueous sodium perchlorate solutions from molecular dynamics simulations. Comp Theor Chem. 2016;15:52–57. doi:10.1016/j.comptc.2016.06.002.
  • Stirnemann G, Wernersson E, Jungwirth P, et al. Mechanisms of acceleration and retardation of water dynamics by ions. JACS. 2013;135:11824–11831. doi:10.1021/ja405201s.
  • Sciortino F, Geiger A, Stanley HE. Effect of defects on molecular mobility in liquid water. Nature. 1991;354:218–221. doi:10.1038/354218a0.
  • Sciortino F, Geiger A, Stanley HE. Network defects and molecular mobility in liquid water. J Chem Phys. 1992;96:3857–3865. doi:10.1063/1.461890.
  • Ji M, Odelius M, Gaffney KJ. Large angular jump mechanism observed for hydrogen bond exchange in aqueous perchlorate solution. Science. 2010;326:1003–1005. doi:10.1126/science.1187707.
  • Kumar R, Schmidt JR, Skinner JL. Hydrogen bonding definitions and dynamics in liquid water. J Chem Phys. 2007;126:204107–204112. doi:10.1063/1.2742385.
  • Nieszporek K, Podkościelny P, Nieszporek J. Transitional hydrogen bonds in aqueous perchlorate solution. Phys Chem Chem Phys. 2016;18:5957–5963. doi:10.1039/C5CP07831H.
  • Luzar A, Chandler D. Hydrogen-bond kinetics in liquid water. Nature. 1996;379:55–57. doi:10.1038/379055a0.
  • Luzar A. Resolving the hydrogen bond dynamics conundrum. J Chem Phys. 2000;113:10663–10675. doi:10.1063/1.1320826.
  • Berendsen HJC, van der Spoel D, van Drunen R. Gromacs: a message-passing parallel molecular dynamics implementation. Comp Phys Comm. 1995;91:43–56. doi:10.1016/0010-4655(95)00042-E.
  • Lindahl W, Hess B, van der Spoel D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J Mol Mod. 2001;7:306–317.
  • Hess B, Kutzner C, van der Spoel D, et al. GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theory Comput. 2008;4:435–447. doi:10.1021/ct700301q.
  • Jeffrey GA, Saenger W. Hydrogen bonding in biological structures. Berlin: Springer; 1991.
  • Steiner T. The hydrogen bond in the solid state. Angew Chem Int Ed. 2002;41:48–76. doi:10.1002/1521-3773(20020104)41:1<>1.0.CO;2-5.
  • Hub JS, De Groot BL, van der Spoel D. g_wham - A free weighted histogram analysis implementation including robust error and autocorrelation estimates. J Chem Theory Comput. 2010;6:3713–3720. doi:10.1021/ct100494z.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.