Influence of Ion Pairing in Inter-Ring Haptotropic Rearrangements in Cationic Cyclopentadienyl Complexes of Ruthenium with Naphthalene: A DFT Investigation

2013 ◽  
Vol 32 (12) ◽  
pp. 3512-3520 ◽  
Author(s):  
E. O. Fetisov ◽  
I. P. Gloriozov ◽  
Yu. F. Oprunenko ◽  
J.-Y. Saillard ◽  
S. Kahlal
Keyword(s):  
Ion Pairing ◽  
Cyclopentadienyl Complexes ◽  
Haptotropic Rearrangements

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.

Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation

2021 ◽  
Author(s):  
Shinya Sugiura ◽  
Hiromitsu Maeda
Keyword(s):  
Infrared Absorption ◽  
Electronic Structures ◽  
Near Infrared ◽  
Ion Pairing ◽  
Anion Binding ◽  
Electronic Systems

A new series of π-extended quinone derivatives containing a pyrrole bridge exhibited NH/OH-type tautomerization and anion binding along with deprotonation that induced near-infrared absorption and ion-pairing assemblies.

scholarly journals Synthetic, Spectroscopic, Structural, and Electrochemical Investigations of Ferricenium Derivatives with Weakly Coordinating Anions: Ion Pairing, Substituent, and Solvent Effects

2021 ◽  
Author(s):  
Firoz Shah Tuglak Khan ◽  
Amy L Waldbusser ◽  
Maria C. C. Carrasco ◽  
Hadi Pourhadi ◽  
Shabnam Hematian
Keyword(s):  
Solvent Effects ◽  
Ion Pairing ◽  
Effective Strategy ◽  
Weakly Coordinating Anions ◽  
Weakly Coordinating ◽  
Electron Withdrawing Substituents

A facile and effective strategy for the preparation of a series of ferricenium complexes bearing either electron-donating or electron-withdrawing substituents with weakly coordinating anions such as [B(C6F5)4]– or SbF6– is...

Ion Pairing Mediates Molecular Organization Across Liquid/Liquid Interfaces

2021 ◽  
Author(s):  
Lu Lin ◽  
Azhad U. Chowdhury ◽  
Ying-Zhong Ma ◽  
Robert L. Sacci ◽  
John Katsaras ◽  
...  
Keyword(s):  
Ion Pairing ◽  
Molecular Organization ◽  
Liquid Interfaces

scholarly journals Superalkali–Alkalide Interactions and Ion Pairing in Low-Polarity Solvents

2021 ◽  
Author(s):  
René Riedel ◽  
Andrew G. Seel ◽  
Daniel Malko ◽  
Daniel P. Miller ◽  
Brendan T. Sperling ◽  
...  
Keyword(s):  
Ion Pairing

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.

scholarly journals Computational NMR Study of Ion Pairing of 1-Decyl-3-methyl-imidazolium Chloride in Molecular Solvents

2020 ◽  
Vol 124 (47) ◽  
pp. 10776-10786
Author(s):  
Dovilė Lengvinaitė ◽  
Vytautas Klimavičius ◽  
Vytautas Balevicius ◽  
Kęstutis Aidas
Keyword(s):  
Ion Pairing ◽  
Imidazolium Chloride ◽  
Nmr Study ◽  
Molecular Solvents
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