Gas-Phase Spectroscopic Signatures of Carboxylate–Li+ Contact Ion Pairs: New Benchmarks For Characterizing Ion Pairing in Solution

2016 ◽  
Vol 7 (7) ◽  
pp. 1192-1197 ◽  
Author(s):  
Sana Habka ◽  
Valérie Brenner ◽  
Michel Mons ◽  
Eric Gloaguen
Keyword(s):  
Gas Phase ◽  
Ion Pairs ◽  
Ion Pairing ◽  
Spectroscopic Signatures ◽  
Contact Ion Pairs

Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

2020 ◽  
Author(s):  
James Sterling ◽  
Wenjuan Jiang ◽  
Wesley M. Botello-Smith ◽  
Yun L. Luo
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairs ◽  
Mean Field ◽  
Salt Bridge ◽  
Ion Pairing ◽  
Donnan Potential ◽  
Mean Field Models ◽  
Ion Exclusion ◽  
Dynamics Simulations ◽  
Contact Ion Pairs

Molecular dynamics simulations of hyaluronic acid and heparin brushes are presented that show important effects of ion-pairing, water dielectric decrease, and co-ion exclusion. Results show equilibria with electroneutrality attained through screening and pairing of brush anionic charges by cations. Most surprising is the reversal of the Donnan potential that would be expected based on electrostatic Boltzmann partitioning alone. Water dielectric decrement within the brush domain is also associated with Born hydration-driven cation exclusion from the brush. We observe that the primary partition energy attracting cations to attain brush electroneutrality is the ion-pairing or salt-bridge energy associated with cation-sulfate and cation-carboxylate solvent-separated and contact ion pairs. Potassium and sodium pairing to glycosaminoglycan carboxylates and sulfates consistently show similar abundance of contact-pairing and solvent-separated pairing. In these crowded macromolecular brushes, ion-pairing, Born-hydration, and electrostatic potential energies all contribute to attain electroneutrality and should therefore contribute in mean-field models to accurately represent brush electrostatics.

Tracing absorption and emission characteristics of halogen-bonded ion pairs involving halogenated imidazolium species

2021 ◽  
Vol 23 (12) ◽  
pp. 7480-7494
Author(s):  
Sarah Karbalaei Khani ◽  
Bastian Geissler ◽  
Elric Engelage ◽  
Patrick Nuernberger ◽  
Christof Hättig
Keyword(s):  
Ion Pairs ◽  
Ion Pairing ◽  
Emission Characteristics ◽  
Absorption And Emission ◽  
Spectroscopic Signatures

Spectroscopic signatures of ion-pairing are identified by variation of counterion and substitution and comparison with theory.

Elektronentransfer und Ionenpaare, 15 [ 1– 3] Radikalanion und Radikal-Kontakt-Ionenpaare von Dimesityl-tetraketon / Electron Transfer and Ion Pairing, 15 [1-3] Radical Anion and Radical Ion Pairs of Dimesityl Tetraketone

1990 ◽  
Vol 45 (8) ◽  
pp. 1197-1204 ◽  
Author(s):  
H. Bock ◽  
P. Hänel ◽  
H.-F. Herrmann
Keyword(s):  
Electron Transfer ◽  
Radical Anion ◽  
Ion Pairs ◽  
Ion Pairing ◽  
Single Electron ◽  
Single Electron Transfer ◽  
Temperature Dependent ◽  
Contact Ion Pairs

The radical anion of dimesityltetraketone (ERed, I = -0.40 V) is easily generated in THF by potassium mirror/[2.2.2]-cryptand reduction. Its contact ion pairs with Na⊕, Cs⊕ and Ba⊕⊕ counter cations, prepared in THF solution by single electron transfer from the respective metals, are characterized by their ESR/ENDOR spectra, which exhibit temperature-dependent metal couplings of aNa⊕ = 0.061 mT (190 K), aCs⊕ = 0.021 mT (190 K), and aBa⊕⊕ = 0.145 mT (295 K).

Elektronentransfer und Ionenpaar-Bildung, 7 [1, 2] Kontakt-Ionenpaare Schwefel enthaltender Radikalanionen / Electron Transfer and Ion Pairing, 7 [1, 2] Contact Ion Pairs of Sulfur-Containing Radical Anions

1988 ◽  
Vol 43 (10) ◽  
pp. 1240-1246 ◽  
Author(s):  
Hans Bock ◽  
Peter Hänel ◽  
H.-F Herrmann ◽  
Heindirk torn Dieck
Keyword(s):  
Electron Transfer ◽  
Ion Pairs ◽  
Ion Pairing ◽  
Radical Anions ◽  
Contact Ion Pairs ◽  
Sulfur Containing

The structurally different radical anions M⊖ of peralkylated 1-sila-2,5-diazacyclopentane-3,4-dithione and of tetrakis(isopropylthio)-p-benzoquinone are generated by reduction with potassium/2.2.2-cryptand under aprotic conditions in THF solution. On addition of Li⊕B(C6H5)4⊖, both form hitherto elusive sulfur-containing contact ion pairs, which are characterized by their ESR/ENDOR spectra.

Cooperativity and ion pairing in magnesium sulfate aqueous solutions from the dilute regime to the solubility limit

2020 ◽  
Vol 22 (21) ◽  
pp. 12140-12153 ◽  
Author(s):  
Federico Sebastiani ◽  
Ana Vila Verde ◽  
Matthias Heyden ◽  
Gerhard Schwaab ◽  
Martina Havenith
Keyword(s):  
Aqueous Solutions ◽  
Magnesium Sulfate ◽  
Simulation Study ◽  
Ion Pairs ◽  
Ion Pairing ◽  
Solubility Limit ◽  
Concentrated Solutions ◽  
Contact Ion Pairs

A combined THz and simulation study on MgSO4 find no contact ion pairs in highly concentrated solutions.

scholarly journals Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

2020 ◽  
Author(s):  
James Sterling ◽  
Wenjuan Jiang ◽  
Wesley M. Botello-Smith ◽  
Yun L. Luo
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairs ◽  
Mean Field ◽  
Salt Bridge ◽  
Ion Pairing ◽  
Donnan Potential ◽  
Mean Field Models ◽  
Ion Exclusion ◽  
Dynamics Simulations ◽  
Contact Ion Pairs

Molecular dynamics simulations of hyaluronic acid and heparin brushes are presented that show important effects of ion-pairing, water dielectric decrease, and co-ion exclusion. Results show equilibria with electroneutrality attained through screening and pairing of brush anionic charges by cations. Most surprising is the reversal of the Donnan potential that would be expected based on electrostatic Boltzmann partitioning alone. Water dielectric decrement within the brush domain is also associated with Born hydration-driven cation exclusion from the brush. We observe that the primary partition energy attracting cations to attain brush electroneutrality is the ion-pairing or salt-bridge energy associated with cation-sulfate and cation-carboxylate solvent-separated and contact ion pairs. Potassium and sodium pairing to glycosaminoglycan carboxylates and sulfates consistently show similar abundance of contact-pairing and solvent-separated pairing. In these crowded macromolecular brushes, ion-pairing, Born-hydration, and electrostatic potential energies all contribute to attain electroneutrality and should therefore contribute in mean-field models to accurately represent brush electrostatics.

scholarly journals Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

2020 ◽  
Author(s):  
James Sterling ◽  
Wenjuan Jiang ◽  
Wesley M. Botello-Smith ◽  
Yun L. Luo
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairs ◽  
Mean Field ◽  
Salt Bridge ◽  
Ion Pairing ◽  
Donnan Potential ◽  
Mean Field Models ◽  
Ion Exclusion ◽  
Dynamics Simulations ◽  
Contact Ion Pairs

Molecular dynamics simulations of hyaluronic acid and heparin brushes are presented that show important effects of ion-pairing, water dielectric decrease, and co-ion exclusion. Results show equilibria with electroneutrality attained through screening and pairing of brush anionic charges by cations. Most surprising is the reversal of the Donnan potential that would be expected based on electrostatic Boltzmann partitioning alone. Water dielectric decrement within the brush domain is also associated with Born hydration-driven cation exclusion from the brush. We observe that the primary partition energy attracting cations to attain brush electroneutrality is the ion-pairing or salt-bridge energy associated with cation-sulfate and cation-carboxylate solvent-separated and contact ion pairs. Potassium and sodium pairing to glycosaminoglycan carboxylates and sulfates consistently show similar abundance of contact-pairing and solvent-separated pairing. In these crowded macromolecular brushes, ion-pairing, Born-hydration, and electrostatic potential energies all contribute to attain electroneutrality and should therefore contribute in mean-field models to accurately represent brush electrostatics.

Photoisomerization-induced patterning of ion-pairing materials based on anionic azobenzene and its complex with a fluorescent π-electronic system

2021 ◽  
Vol 57 (35) ◽  
pp. 4287-4290
Author(s):  
Ryohei Yamakado ◽  
Issei Kitamura ◽  
Mitsuo Hara ◽  
Shusaku Nagano ◽  
Takahiro Seki ◽  
...  
Keyword(s):  
Surface Tension ◽  
Mass Transport ◽  
Trace Amount ◽  
Ion Pairs ◽  
Ion Pairing ◽  
Electronic System ◽  
Large Mass ◽  
System P ◽  
The Difference

Large mass transport driven by the difference in the photoisomerization-induced surface tension was demonstrated in ion pairs, enabling fluorescence patterning using a trace amount of photoisomerized anions in complexation with a π-electronic system.

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