A Theoretical Investigation of the Interactions between Water Molecules and Ionic Liquids

We investigated the hydration states of cholinium phosphate-type ionic liquids (ILs) in relation to ion structure, focusing on the influence of the hydroxyl group of the cation and the alkyl chain length of the anion. Water activity measurements provided information on the macroscopic hydration states of the hydrated ILs, while NMR measurements and molecular dynamics simulations clearly showed the microscopic interactions and coordination of the water molecules. The hydrogen bonding networks in these ILs were influenced by the anion structure and water content, and the mobility of water molecules was influenced by the number of hydroxyl groups in the cation and anion.

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V2O2F4(H2O)2·H2O: a new V4+layer structure related to VOF3

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229615024122 ◽

2016 ◽

Vol 72 (1) ◽

pp. 80-83 ◽

Cited By ~ 2

Author(s):

Cameron Black ◽

Philip Lightfoot

Keyword(s):

Ionic Liquids ◽

Title Compound ◽

Solvothermal Synthesis ◽

Layer Structure ◽

Three Dimensional ◽

Water Molecules ◽

Frustrated Magnets ◽

Two Dimensional ◽

Triangular Lattices ◽

Solvothermal Conditions

VIVoxyfluorides are of interest as frustrated magnets. The successful synthesis of two-dimensionally connected vanadium(IV) oxyfluoride structures generally requires the use of ionic liquids as solvents. During solvothermal synthesis experiments aimed at producing two- and three-dimensional vanadium(IV) selenites with triangular lattices, the title compound, diaquatetra-μ-fluorido-dioxidodivanadium(IV) monohydrate, V2O2F4(H2O)2·H2O, was discovered and features a new infinite V4+-containing two-dimensional layer comprised of fluorine-bridged corner- and edge-sharing VOF4(H2O) octahedral building units. The synthesis was carried out under solvothermal conditions. The V4+centre exhibits a typical off-centring, with a short V=O bond and an elongatedtrans-V—F bond. Hydrogen-bonded water molecules occur between the layers. The structure is related to previously reported vanadium oxyfluoride structures, in particular, the same layer topology is seen in VOF3.

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Spectroscopic and Computational Insight into the Intermolecular Interactions between Zwitter-Type Ionic Liquids and Water Molecules

ChemPhysChem ◽

10.1002/cphc.200900925 ◽

2010 ◽

Vol 11 (8) ◽

pp. 1711-1717 ◽

Cited By ~ 7

Author(s):

HoSeok Park ◽

Young Mee Jung ◽

Seong Ho Yang ◽

Weonho Shin ◽

Jung Ku Kang ◽

...

Keyword(s):

Ionic Liquids ◽

Intermolecular Interactions ◽

Water Molecules ◽

Insight Into

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Theoretical investigation of the thermal decomposition of imidazolium ionic liquids with different halides ions

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.10.028 ◽

2016 ◽

Vol 224 ◽

pp. 460-465 ◽

Cited By ~ 2

Author(s):

Mojtaba Rezaeian ◽

Mohammad Izadyar

Keyword(s):

Thermal Decomposition ◽

Ionic Liquids ◽

Theoretical Investigation ◽

Imidazolium Ionic Liquids

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Interactions of RNA and Water probed by 2D-IR Spectroscopy

EPJ Web of Conferences ◽

10.1051/epjconf/201920510003 ◽

2019 ◽

Vol 205 ◽

pp. 10003

Author(s):

Benjamin P. Fingerhut ◽

Eva M. Bruening ◽

Jakob Schauss ◽

Torsten Siebert ◽

Thomas Elsaesser

Keyword(s):

Ir Spectroscopy ◽

Boundary Conditions ◽

Theoretical Investigation ◽

Double Helix ◽

Water Molecules ◽

2D Ir ◽

Ultrafast Hydration ◽

Hydration Dynamics

Combined experimental-theoretical investigation of ultrafast hydration dynamics of an A-form RNA double helix in water reveals an ordered arrangement of water molecules and provides boundary conditions for the ion atmosphere around the polyanionic RNA.

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