Skip to main content

Research Repository

Advanced Search

Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H₂O)n]2+ complexes

Bruzzi, E.; Stace, Anthony J.

Authors

E. Bruzzi

Anthony J. Stace anthony.stace@nottingham.ac.uk



Abstract

Further understanding of the biological role of the Ca2+ ion in an aqueous environment requires quantitative measurements of both the short and long range interactions experienced by the ion in an aqueous medium. Here we present experimental measurements of binding energies for water molecules occupying the second and, quite possibly, the third solvation shell surrounding a central Ca2+ ion in [Ca(H2O)n]2+ complexes. Results for these large, previously inaccessible, complexes have come from the application of finite heat bath theory to kinetic energy measurements following unimolecular decay. Even at n = 20 the results show water molecules to be more strongly bound to Ca2+ than would be expected just from the presence of an extended network of hydrogen bonds. For n > 10, there is very good agreement between the experimental binding energies and recently published DFT calculations. Comparisons are made with similar data recorded for [Ca(NH3)n]2+ and [Ca(CH3OH)n]2+ complexes.

Citation

Bruzzi, E., & Stace, A. J. (in press). Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H₂O)n]2+ complexes. Royal Society Open Science, 4(1), https://doi.org/10.1098/rsos.160671

Journal Article Type Article
Acceptance Date Nov 25, 2016
Online Publication Date Jan 4, 2017
Deposit Date Jan 12, 2017
Publicly Available Date Jan 12, 2017
Journal Royal Society Open Science
Electronic ISSN 2054-5703
Publisher Royal Society, The
Peer Reviewed Peer Reviewed
Volume 4
Issue 1
DOI https://doi.org/10.1098/rsos.160671
Keywords Calcium, Water, Binding energy, Solvation shell
Public URL http://eprints.nottingham.ac.uk/id/eprint/39773
Publisher URL http://rsos.royalsocietypublishing.org/content/4/1/160671
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0

Files


160671.full.pdf (564 Kb)
PDF

Copyright Statement
Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0





You might also like



Downloadable Citations