ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Lewis_acidity.pdf (139.44 kB)
0/0

Is Lewis Acidity in Metal Dications Triggered by Solvent Shell Fluctuations?

preprint
submitted on 22.05.2018 and posted on 23.05.2018 by Tony Stace
Using experimental data collected on the stabilities of gas phase clusters consisting of metal dications in association with water molecules, a model is proposed to account for Lewis acidity. It is suggested that acidity is driven be fluctuations in the numbers of water molecules surrounding a metal ion, and that these fluctuations reduce numbers in the coordination shells to below those need to stabilise a +2 charge on the metal. The timescale on which these fluctuations are calculated to occur is approximately 6 orders of magnitude longer than any of the measure mean residence times of water molecules surrounding a central metal ion. This time difference reflects both the rarity of the event require to drive acidity and the extreme nature of some of the fluctuations.

Funding

Leverhulme Trust 510335

History

Email Address of Submitting Author

tony.stace@nottingham.ac.uk

Institution

University of Nottingham

Country

United Kingdom

ORCID For Submitting Author

0000-0001-5948-3623

Declaration of Conflict of Interest

none

Exports