Bulk versus interfacial aqueous solvation of dicarboxylate dianions

Journal of the American Chemical Society
Babak MinofarLai-Sheng Wang

Abstract

Solvation of dicarboxylate dianions of varying length of the aliphatic chain in water clusters and in extended aqueous slabs was investigated using photoelectron spectroscopy and molecular dynamics simulations. Photoelectron spectra of hydrated succinate, adipate, and tetradecandioic dianions with up to 20 water molecules were obtained. Even-odd effects were observed as a result of the alternate solvation mode of the two negative charges with increasing solvent numbers. The competition between hydrophilic interactions of the charged carboxylate groups and hydrophobic interactions of the aliphatic chain leads to conformation changes in large water clusters containing dicarboxylates bigger than adipate. It also leads to a transition from bulk aqueous solvation of small dicarboxylates to solvation at the water/vapor interface of the larger ones. Whereas oxalate and adipate solvate in the inner parts of the aqueous slab, suberate and longer dicarboxylate dianions have a strong propensity to the surface. This transition also has consequences for the folding of the flexible aliphatic chain and for the structure of aqueous solvation shells around the dianions.

References

Mar 31, 2000·Science·B R HackerW Zhenhan
Jan 10, 2002·Chemical Reviews·Andreas Dreuw, Lorenz S Cederbaum

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Citations

Jun 17, 2011·Accounts of Chemical Research·Knut R Asmis, Daniel M Neumark
Jun 20, 2012·Journal of the American Chemical Society·Maria DemirevaEvan R Williams
Jul 10, 2008·Physical Chemistry Chemical Physics : PCCP·Feng WangJing-Jing Shou
Jun 3, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Plinio Di BernardoLinfeng Rao
Oct 15, 2008·Annual Review of Physical Chemistry·Xue-Bin Wang, Lai-Sheng Wang
Oct 18, 2006·The Journal of Chemical Physics·Samuel J KeaslerBin Chen
Aug 20, 2016·Journal of Molecular Modeling·Ondřej KroutilMartin Kabeláč
Oct 31, 2017·Journal of Molecular Modeling·Ondřej KroutilMartin Kabeláč
Mar 26, 2011·Angewandte Chemie·Torsten WendeAngel Rubio
Sep 4, 2014·Physical Chemistry Chemical Physics : PCCP·Josephina WernerIlona Riipinen
Jun 24, 2014·Physical Chemistry Chemical Physics : PCCP·Jan R R VerletAdam S Chatterley
Dec 5, 2008·The Journal of Physical Chemistry. a·Xue-Bin WangLai-Sheng Wang
Apr 13, 2006·Chemical Reviews·Bernd Winter, Manfred Faubel
Apr 13, 2006·Chemical Reviews·Pavel Jungwirth, Douglas J Tobias
Oct 2, 2019·ACS Omega·Omar TeschkeDavid Mendez Soares
Jun 25, 2013·The Journal of Physical Chemistry. B·Soran JahangiriGilles H Peslherbe
Dec 9, 2014·Inorganic Chemistry·Pedro MateusM Teresa Duarte
Jun 6, 2020·The Journal of Physical Chemistry. a·Helen E AbbottRoy L Johnston
Sep 22, 2017·Journal of the American Chemical Society·Jonas WarnekeSotiris S Xantheas
Jul 31, 2007·The Journal of Physical Chemistry. a·Barbara Jagoda-CwiklikLai-Sheng Wang
Jul 13, 2006·The Journal of Physical Chemistry. a·Eliana Asciutto, Celeste Sagui
Nov 2, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Rama Mohana Rao DumpalaSk Musharaf Ali

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