Explicit Solvent Modeling of Solvatochromic Probes in Ionic Liquids: Implications of Solvation Shell Structure

2015 ◽  
Vol 119 (41) ◽  
pp. 13185-13197 ◽  
Author(s):  
Andrzej Eilmes ◽  
Piotr Kubisiak
Keyword(s):  
Ionic Liquids ◽  
Shell Structure ◽  
Solvation Shell ◽  
Explicit Solvent ◽  
Solvatochromic Probes

Understanding the efficiency of ionic liquids–DMSO as solvents for carbohydrates: use of solvatochromic- and related physicochemical properties

2020 ◽  
Vol 44 (35) ◽  
pp. 14906-14914 ◽  
Author(s):  
Thaís A. Bioni ◽  
Mayara L. de Oliveira ◽  
Marcella T. Dignani ◽  
Omar A. El Seoud
Keyword(s):  
Ionic Liquids ◽  
Physicochemical Properties ◽  
Solvatochromic Probes

The quantification of interactions of solvatochromic probes with ionic liquids/DMSO serves as an expedient approach for predicting the solvent efficiency in dissolving carbohydrates

scholarly journals Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data

2020 ◽  
Vol 152 (20) ◽  
pp. 204115 ◽  
Author(s):  
Darren J. Hsu ◽  
Denis Leshchev ◽  
Irina Kosheleva ◽  
Kevin L. Kohlstedt ◽  
Lin X. Chen
Keyword(s):  
Molecular Dynamics ◽  
Shell Structure ◽  
Solvation Shell ◽  
Scattering Data ◽  
X Ray

scholarly journals Solvation structure of poly-m-phenyleneisophthalamide (PMIA) in ionic liquids

2019 ◽  
Vol 21 (7) ◽  
pp. 4053-4062 ◽  
Author(s):  
Jonas Winters ◽  
Wim Dehaen ◽  
Koen Binnemans
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Solvation Shell ◽  
Hydrogen Bond Network ◽  
Solvation Structure ◽  
Bond Network ◽  
Break Up

Poly-m-phenyleneisophthalamide (PMIA) is soluble in ionic liquids that can break up its hydrogen bond network and form a stable solvation shell through alternating cation–anion interactions.

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