Binding of carboxylate and water to monovalent cations-Reference-Cited by-同舟云学术

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Binding of carboxylate and water to monovalent cations

Published:2023 Issue:43 Volume:25 Page:29881-29893
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Stevens Mark J¹,Rempe Susan L. B.¹^ORCID

Affiliation:

1. Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, NM 87185, USA

Abstract

Water plays an important role in the binding of cations with carboxylates. DFT studies show nW = 2 waters combine with nA = 2 negatively-charged acetates to form the complexes with lowest free energies for Li, Na, and K ions in the gas phase.

Funder

Sandia National Laboratories

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP04200F

Reference102 articles.

1. Perspectives on: Ion selectivity

2. Hofmeister Phenomena: An Update on Ion Specificity in Biology

3. Beyond Hofmeister

4. Effect of Organic Solvents on Li+ Ion Solvation and Transport in Ionic Liquid Electrolytes: A Molecular Dynamics Simulation Study

5. Establishing a unified framework for ion solvation and transport in liquid and solid electrolytes

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