ChemPhysChem

Cover image for Vol. 13 Issue 7

Special Issue: Ionic Liquids

May 14, 2012

Volume 13, Issue 7

Pages 1601–1963

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    4. Editorial
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    1. Cover Picture: Nanostructural Organization in Acetonitrile/Ionic Liquid Mixtures: Molecular Dynamics Simulations and Optical Kerr Effect Spectroscopy (ChemPhysChem 7/2012) (page 1601)

      Fehmi Bardak, Dr. Dong Xiao, Larry G. Hines Jr., Dr. Pillhun Son, Prof. Richard A. Bartsch, Prof. Edward L. Quitevis, Peng Yang and Prof. Gregory A. Voth

      Article first published online: 8 MAY 2012 | DOI: 10.1002/cphc.201290029

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      E. L. Quitevis, G. A. Voth et al. performed OKE measurements on a 50 mol % mixture of CH3CN and [C5mim][NTf2] and show on p. 1687 ff. the results to be consistent with the CH3CN molecules being localized at the interface of polar and nonpolar domains, as indicated by their simulations of the mixture.

  2. Inside Cover

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    1. Inside Cover: Organic Reactions in Ionic Liquids Studied by in Situ XPS (ChemPhysChem 7/2012) (page 1602)

      Inga Niedermaier, Claudia Kolbeck, Dr. Nicola Taccardi, Dr. Peter S. Schulz, Jing Li, Prof. Thomas Drewello, Prof. Peter Wasserscheid, Prof. Hans-Peter Steinrück and Dr. Florian Maier

      Article first published online: 8 MAY 2012 | DOI: 10.1002/cphc.201290030

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      In various mixtures of reactive ionic liquids,angle-resolved X-ray photoelectron spectroscopy under ultra-high vacuum conditions uncovers a rich chemistry for thermally activated organic reactions as shown on p. 1725 ff. by F. Maier et al.

  3. Editorial

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      Editorial: Ionic Liquids: The Fundamentals and Forces Driving Their Rise (page 1603)

      Prof. Dr. Ralf Ludwig, Prof. Dr. Edward Maginn and Prof. Dr. Sundaram Balasubramanian

      Article first published online: 8 MAY 2012 | DOI: 10.1002/cphc.201200245

  4. Graphical Abstract

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    1. Graphical Abstract: ChemPhysChem 7/2012 (pages 1607–1617)

      Article first published online: 8 MAY 2012 | DOI: 10.1002/cphc.201290031

    2. Graphical Abstract: ChemPhysChem 7/2012 (pages 1607–1617)

      Article first published online: 16 MAY 2012 | DOI: 10.1002/cphc.201290034

  5. News

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  6. Minireviews

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    1. Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments (pages 1625–1637)

      Florian Dommert, Katharina Wendler, Prof. Dr. Robert Berger, Dr. Luigi Delle Site and Prof. Dr. Christian Holm

      Article first published online: 17 FEB 2012 | DOI: 10.1002/cphc.201100997

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      The state of the art of force-field parametrization for ionic liquids is reviewed and an overview of the advantages and disadvantages of the various available force fields is provided. Insight obtained from recent electronic density functional results into the parametrization of partial charges and on the influence of polarization effects in bulk ionic liquids is highlighted.

    2. Comparison of Low-Frequency Spectra between Aromatic and Nonaromatic Cation Based Ionic Liquids Using Femtosecond Raman-Induced Kerr Effect Spectroscopy (pages 1638–1648)

      Prof. Hideaki Shirota

      Article first published online: 17 JAN 2012 | DOI: 10.1002/cphc.201100731

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      Bass notes: Low-frequency spectra below 200 cm−1 of aromatic and nonaromatic cation based ionic liquids using femtosecond Raman-induced Kerr effect spectroscopy (see picture) are reviewed. The differences in the spectral line shape between two types of ionic liquids are discussed, and the relationships between the first moment of the broad spectral band and the bulk properties are compared.

    3. Radicals in Ionic Liquids (pages 1649–1663)

      Prof. Dr. Veronika Strehmel

      Article first published online: 19 MAR 2012 | DOI: 10.1002/cphc.201100982

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      Radicals in the microscopic domain: Stable radicals investigated in ionic liquids give information about the rotational diffusion in and micropolarity of the ionic liquids, although the recombination of photogenerated radicals in the dark gives a deeper insight into solvent cage effects (see picture).

    4. Factors Controlling the Diffusion of Ions in Ionic Liquids (pages 1664–1670)

      Dr. Seiji Tsuzuki

      Article first published online: 18 APR 2012 | DOI: 10.1002/cphc.201100870

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      Diffusion of ions in ionic liquids: The diffusion of ions is controlled by several factors including ionic size and shape, the interactions between cations and anions and their conformational flexibility. Molecular dynamics simulations reproduce experimental trends of ion dependence of the self-diffusion coefficients well (see picture).

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    1. Effects of Specific Adsorption on the Differential Capacitance of Imidazolium-Based Ionic Liquid Electrolytes (pages 1671–1676)

      Xiujuan Si, Dr. Shu Li, Dr. Yonglong Wang, Dr. Shihai Ye and Dr. Tianying Yan

      Article first published online: 29 MAR 2012 | DOI: 10.1002/cphc.201200013

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      Specific adsorption: Molecular dynamics simulations of the imidazolium-based ionic liquid/graphite electrode interface illustrate the effects of specific adsorption of the imidazolium cation on both differential capacitance and electric double-layer structure due to the π-stacking interaction between the imidazolium cation and the graphite surface.

  8. Articles

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    1. Bromide Complexation by the EuIII Lanthanide Cation in Dry and Humid Ionic Liquids: A Molecular Dynamics PMF Study (pages 1677–1686)

      Dr. Alain Chaumont and Prof. Dr. Georges Wipff

      Article first published online: 3 MAY 2012 | DOI: 10.1002/cphc.201200063

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      Wet or dry? The solvation patterns and relative stabilities of EuBrn3-n complexes (n=0 to 6) (see picture) are shown to depend on the IL anion (PF6 vs Tf2N), IL cation (imidazolium vs ammonium) and IL “humidity”. Comparisons with aqueous and acetonitrile solutions point to the specificity of ILs.

    2. Nanostructural Organization in Acetonitrile/Ionic Liquid Mixtures: Molecular Dynamics Simulations and Optical Kerr Effect Spectroscopy (pages 1687–1700)

      Fehmi Bardak, Dr. Dong Xiao, Larry G. Hines Jr., Dr. Pillhun Son, Prof. Richard A. Bartsch, Prof. Edward L. Quitevis, Peng Yang and Prof. Gregory A. Voth

      Article first published online: 23 APR 2012 | DOI: 10.1002/cphc.201200026

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      Solute–solvent interactions in imidazolium-based ionic liquids are complex. Dipolar solutes, such as CH3CN, tend to be located at the interfacial region between the charged-order ionic networks (red) and the nonpolar alkyl domains (yellow), with the nitrile groups pointing toward the ionic network, as shown in snapshots obtained from molecular dynamics simulations of CH3CN/ionic liquid mixtures. Optical Kerr effect spectroscopic measurements suggest that the solute–solvent interactions are governed by strong ion–dipole forces in these mixtures.

    3. An MD Study of the Applicability of the Walden Rule and the Nernst–Einstein Model for Ionic Liquids (pages 1701–1707)

      Dr. Hongjun Liu and Prof. Edward Maginn

      Article first published online: 29 FEB 2012 | DOI: 10.1002/cphc.201200016

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      Walden rule and ionicity: Ionic conductivities, shear viscosities and self-diffusivities were computed in MD simulations for six ionic liquids (see picture). These ionic liquids closely follow the Walden rule that relates ionic conductivity to fluidity. The computed ionic conductivities agree well with those predicted from the Nernst–Einstein model, suggesting that the ionicity of these ionic liquids is high.

    4. Microheterogeneities in Ionic-Liquid–Methanol Solutions Studied by FTIR Spectroscopy, DFT Calculations and Molecular Dynamics Simulations (pages 1708–1717)

      Christian Roth, Andreas Appelhagen, Niels Jobst and Prof. Dr. Ralf Ludwig

      Article first published online: 29 FEB 2012 | DOI: 10.1002/cphc.201101022

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      Networked: The changes in the IL network upon dilution with methanol and the formation of methanol clusters embedded in the IL matrix are investigated. The mixtures are studied by FTIR spectroscopy in the mid-infrared region, as well as with DFT calculations and MD simulations (see pictures).

    5. Surface Electronic Structure of [XMIm]Cl Probed by Surface-Sensitive Spectroscopy (pages 1718–1724)

      Angela Ulbrich, Markus Reinmöller, Dr. Wichard J. D. Beenken and Dr. Stefan Krischok

      Article first published online: 19 APR 2012 | DOI: 10.1002/cphc.201100972

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      Buried beneath the cations alkyl chain: In this study, photoelectron spectroscopy (XPS and UPS) and metastable induced electron spectroscopy (MIES), which feature individual surface-sensitivities, have been compared with reconstructions of valence band spectra from single ion pair calculations. The chlorine anion in a set of ionic liquids ([XMIm]Cl) has been identified to be displaced from the ionic liquid-vacuum-interface.

    6. Organic Reactions in Ionic Liquids Studied by in Situ XPS (pages 1725–1735)

      Inga Niedermaier, Claudia Kolbeck, Dr. Nicola Taccardi, Dr. Peter S. Schulz, Jing Li, Prof. Thomas Drewello, Prof. Peter Wasserscheid, Prof. Hans-Peter Steinrück and Dr. Florian Maier

      Article first published online: 1 MAR 2012 | DOI: 10.1002/cphc.201100965

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      A chemist′s magnifying glass: In the course of a classical organic substitution reaction in ionic liquids under “non-classical” ultrahigh vacuum conditions, X-ray photoelectron spectroscopy allows for monitoring the transition from a reactive amine group to its corresponding ammonium (see picture).

    7. An in Situ STM and DTS Study of the Extremely Pure [EMIM]FAP/Au(111) Interface (pages 1736–1742)

      Dr. Natalia Borisenko, Prof. Dr. Sherif Zein El Abedin and Prof. Dr. Frank Endres

      Article first published online: 30 DEC 2011 | DOI: 10.1002/cphc.201100873

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      Ionic liquid adlayers: An in situ STM study of extremely pure 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate on Au(111) shows potential-dependent surface structures that can be ascribed to cation and/or anion adsorption.

    8. Cation–π Interactions between a Free-Base Porphyrin and an Ionic Liquid: A Computational Study (pages 1743–1747)

      Zhen Cao, Dr. Shu Li and Dr. Tianying Yan

      Article first published online: 17 JAN 2012 | DOI: 10.1002/cphc.201100868

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      Cation–π stacking: A free-base porphyrin (FBP) is sandwiched between two 1-butyl-3-methylimidazolium (BMIM+) cations with a slipped-parallel alignment in an ionic liquid, due to the cation–π interactions between the FBP and BMIM+.

    9. The Effect of Neutral Ion Aggregate Formation on the Electrical Conductivity of an Ionic Liquid and its Mixtures with Chloroform (pages 1748–1752)

      Dr. Thorsten Köddermann, Sandra Klembt, Dagmar Klasen, Dr. Dietmar Paschek, Prof. Dr. Udo Kragl and Prof. Dr. Ralf Ludwig

      Article first published online: 12 MAR 2012 | DOI: 10.1002/cphc.201100838

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      Idling in neutral: Experimental and computer simulation studies of mixtures of the ionic liquid (IL) [C2mim][NTf2] with chloroform (see picture) show that the low conductivity goes through a maximum with increasing chloroform concentration. The observed small conductivity at low IL-concentration is due to the formation of neutral aggregates.

    10. Glycine in 1-Butyl-3-Methylimidazolium Acetate and Trifluoroacetate Ionic Liquids: Effect of Fluorination and Hydrogen Bonding (pages 1753–1763)

      Dr. Ajda Podgoršek, Marina Macchiagodena, Prof. Dr. Fabio Ramondo, Prof. Margarida F. Costa Gomes and Prof. Agílio A. H. Pádua

      Article first published online: 20 MAR 2012 | DOI: 10.1002/cphc.201100779

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      Into the mix: The solvation of glycine in two ionic liquids, namely, 1-butyl-3-methylimidazolium acetate, [C1C4Im][OAc], and 1-butyl-3-methylimidazolium trifluoroacetate, [C1C4Im][TFA], was studied by a combination of experimental and theoretical methods (see picture).

    11. Orientational Ordering of Ionic Liquids near a Charged Mica Surface (pages 1764–1771)

      Rajdeep Singh Payal and Prof. Sundaram Balasubramanian

      Article first published online: 12 MAR 2012 | DOI: 10.1002/cphc.201100871

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      Length matters: The nature of organization of ions in imidazolium-based ionic liquids adsorbed on a negatively charged mica surface depends on the length of the alkyl tail of the cation (see picture). Molecular dynamics simulations demonstrate that while the ethyl group lies parallel to the surface plane, a hexyl or an octyl tail lies perpendicular to it.

    12. Interfacial Layering of a Room-Temperature Ionic Liquid Thin Film on Mica: A Computational Investigation (pages 1772–1780)

      Dr. Daniele Dragoni, Dr. Nicola Manini and Dr. Pietro Ballone

      Article first published online: 5 MAR 2012 | DOI: 10.1002/cphc.201100947

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      Tipping point: The normal force on a nanometric tip penetrating into a thin [bmim]Tf2N] film (see picture) is calculated by means of molecular dynamics simulations. The results are compared to recent AFM measurements on the same system.

    13. Rationalization of Solvation and Stabilization of Palladium Nanoparticles in Imidazolium-Based Ionic Liquids by DFT and Vibrational Spectroscopy (pages 1781–1790)

      Prof. Sergey A. Katsyuba, Dr. Elena E. Zvereva, Dr. Ning Yan, Xiao Yuan , Prof. Yuan Kou and Prof. Paul J. Dyson

      Article first published online: 23 MAR 2012 | DOI: 10.1002/cphc.201200087

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      Both anions and cations of 1,3-dialkylimidazolium tetrafluoroborates interact with Pd nanoparticles (Pd-NPs) in ionic liquids according to a combined DFT/vibrational spectroscopy study involving, among other things, IL-stabilised Pd-NPs (see picture) and adducts of Pdn clusters as NP models with IL components, such as the Pd5–[1,3-dialkylimidazolium]3[BF]2+ adduct (inset).

    14. A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure–Property Relationships (pages 1791–1801)

      Dr. Simon N. Butler and Prof. Dr. Florian Müller-Plathe

      Article first published online: 19 APR 2012 | DOI: 10.1002/cphc.201200039

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      Mixing computational methods: A combined molecular dynamics (MD)/quantitative structure–property relationship (QSPR) study investigates ways to describe the origin of viscosity in ionic liquids. MD simulations of 1-butyl-3-methylimidazolium hexafluorophosphate [bmim][PF6] (see picture) point the way to better target quantities.

    15. Preparation of [Al(hfip)4]-Based Ionic Liquids with Siloxane-Functionalized Cations and Their Physical Properties in Comparison with Their [Tf2N] Analogues (pages 1802–1805)

      Dr. Safak Bulut, M. A. Ab Rani, Prof. Dr. Tom Welton, Prof. Dr. Paul D. Lickiss and Prof. Dr. Ingo Krossing

      Article first published online: 12 MAR 2012 | DOI: 10.1002/cphc.201200028

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      Get over your size: We present fast and practical syntheses of two [Al(hfip)4]-ionic liquids (ILs) with siloxane-functionalized cations (see picture). Temperature-dependent viscosities and conductivities of [Al(hfip)4]-ILs in comparison with their [Tf2N] analogues reveal that the anion effectively remove the influence of the cation size on the IL properties.

    16. Phase Behavior of CO2 in Room-Temperature Ionic Liquid 1-Ethyl-3-Ethylimidazolium Acetate (pages 1806–1817)

      Dr. Mark B. Shiflett, Beth A. Elliott, Dr. Steve R. Lustig, Dr. Subramaniam Sabesan, Dr. Manish S. Kelkar and Dr. A. Yokozeki

      Article first published online: 18 APR 2012 | DOI: 10.1002/cphc.201200023

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      Carbon dioxide solubility in 1-ethyl-3-ethylimidazolium acetate ([eeim][Ac], see picture) is measured using a gravimetric microbalance. An equation-of-state (EOS) model is used to analyze the data and has predicted vapor–liquid–liquid equilibria in CO2-rich solutions.

    17. Structural Study at the Gas-Liquid Interface of 1-Alkyl-3-Methylimidazolium Alkylsulfates Using Surface Potential Measurements (pages 1818–1824)

      Dr. Imee Su Martinez, Dr. Cherry Santos and Prof. Steven Baldelli

      Article first published online: 18 APR 2012 | DOI: 10.1002/cphc.201100985

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      Order through length: Sum frequency generation, surface potential, and surface tension measurements have been combined on the pure ionic-liquid–gas interface for 1-alkyl-3-methylimidazolium alkylsulfate ionic liquids. The results show that surface potential of the ionic liquid generally increases as the alkyl chain on the cation or anion increases in length (see picture).

    18. Phase Behaviour, Interactions, and Structural Studies of (Amines+Ionic Liquids) Binary Mixtures (pages 1825–1835)

      Dr. Johan Jacquemin, Dr. Magdalena Bendová, Dr. Zuzana Sedláková, Dr. Marijana Blesic, Dr. John D. Holbrey, Dr. Claire L. Mullan, Dr. Tristan G. A. Youngs, Laure Pison, Dr. Zdeněk Wagner, Dr. Karel Aim, Prof. Margarida F. Costa Gomes and Prof. Christopher Hardacre

      Article first published online: 29 FEB 2012 | DOI: 10.1002/cphc.201100952

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      A good mix: Fluid phase equilibria, interactions and liquid structures of amines in two [Cnmim][NTf2]-based ionic liquids were studied by a combination of experimental and theoretical methods (see picture).

    19. Structural Studies on Ionic Liquid/Water/Peptide Systems by HR-MAS NMR Spectroscopy (pages 1836–1844)

      Dr. Carmen Mrestani-Klaus, Annekathrin Richardt, Dr. Christian Wespe, Dr. Annegret Stark, Eberhard Humpfer and Prof. Dr. Frank Bordusa

      Article first published online: 5 APR 2012 | DOI: 10.1002/cphc.201100927

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      Complete proton resonance assignments of both peptides as solutes and ionic liquids as solvents is achieved by high-resolution magic angle spinning NMR spectroscopic investigations of peptides dissolved in ionic liquids, which facilitated for the first time NMR analysis of ionic liquid/peptide systems at the molecular level, mainly on the basis of chemical-shift changes (see picture).

    20. Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate (pages 1845–1853)

      Dr. Alfonso S. Pensado, Martin Brehm, Jens Thar, Dr. Ari P. Seitsonen and Prof. Dr. Barbara Kirchner

      Article first published online: 1 MAR 2012 | DOI: 10.1002/cphc.201100917

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      To PBE or to PBE-D, that is the question! A comprehensive density functional study, using the Perdew–Burke–Ernzerhof (PBE) functional, to elucidate the effect of including or neglecting the dispersion correction on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanate is presented.

    21. Probing the Local Polarity of Alkylammonium Formate Ionic Liquids and Their Mixtures with Water by Using a Carbonyl Carotenoid (pages 1854–1859)

      Maria Ekimova, Dirk Fröhlich, Dr. Sebastian Stalke, Prof. Dr. Thomas Lenzer and Dr. Kawon Oum

      Article first published online: 16 FEB 2012 | DOI: 10.1002/cphc.201100915

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      Poles apart! Ultrafast transient absorption signals from 12′-apo-β-carotenoic-12′-acid were employed to determine the local polarity (see picture; ICT=intramolecular charge transfer) of three alkylammonium formate protic ionic liquids [RNH3]+[HCOO] [R=CH3 (MAF), C2H5 (EAF), and n-C4H9 (BAF)].

    22. The General Phase Behavior of Mixtures of 1-Alkyl-3-Methylimidazolium Bis[(trifluoromethyl)sulfonyl]amide Ionic Liquids with n-Alkyl Alcohols (pages 1860–1867)

      Dr. Vlad R. Vale, Prof. Dr.-Ing. Stefan Will, Prof. Dr. Wolffram Schröer and Dr. Bernd Rathke

      Article first published online: 16 MAR 2012 | DOI: 10.1002/cphc.201100911

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      Mapping the landscape: Systematic investigations of methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (CxmimNTf2)/n-alkyl alcohol mixtures enable a more detailed view of these substances. An empirical partially predictive method for the estimation of the upper critical solution temperatures derived from such results is described (see picture).

    23. Structure–Property Relationships in Ionic Liquids: A Study of the Anion Dependence in Vaporization Enthalpies of Imidazolium-Based Ionic Liquids (pages 1868–1876)

      Dr. Dzmitry H. Zaitsau, Dr. Koichi Fumino, Dr. Vladimir N. Emel'yanenko, Andrei V. Yermalayeu, Prof. Ralf Ludwig  and Prof. Sergey P. Verevkin

      Article first published online: 1 FEB 2012 | DOI: 10.1002/cphc.201100879

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      Depend or not depend: The quartz crystal microbalance and far-IR spectroscopy are used to determine vaporization enthalpies, ΔlgH°m, for a series of ionic liquids (ILs) [C2mim][X] (see picture). Dependences of vaporization enthalpies on physicochemical parameters specific for anions are revealed and a simple group-contribution method is developed for predicting vaporization enthalpies of alkyl imidazolium-based ILs.

    24. Binary Mixtures of Ionic Liquids: A Joint Approach to Investigate their Properties and Catalytic Ability (pages 1877–1884)

      Dr. Francesca D'Anna, Dr. Salvatore Marullo, Paola Vitale and Prof. Renato Noto

      Article first published online: 9 FEB 2012 | DOI: 10.1002/cphc.201100878

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      Mixing two ionic liquids (ILs) affects the outcome of reactions such as mononuclear rearrangement of a heterocycle (MRH) and solvatochromism of Nile Red. Greater changes in the ionic lattice are found when an IL mixture contains different anions. In mixture M1 the rate constant kobs(MRH) increases with increasing mole fraction X of the second IL, but shows a bell-like curve for M2 (see picture).

    25. Coordination Environment of Highly Concentrated Solutions of CuII in Ionic Liquids through a Multidisciplinary Approach (pages 1885–1892)

      Dr. Stefano Caporali, Prof. Cinzia Chiappe, Dr. Tiziana Ghilardi, Dr. Christian Silvio Pomelli and Dr. Calogero Pinzino

      Article first published online: 6 FEB 2012 | DOI: 10.1002/cphc.201100876

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      Counteranion complexation ability determines the nature of the complexes in concentrated solutions of CuII salts in imidazolium-based ionic liquids (ILs), whereas the salt/IL molar ratio plays only a marginal role, according to spectroscopic and electrochemical studies. DFT calculations suggest that [CuCl3] and [CuCl4]2− are the dominant CuII species when the counteranion is Cl (see picture).

    26. The Chameleon-Like Nature of Zwitterionic Micelles: The Effect of Ionic Liquid Addition on the Properties of Aqueous Sulfobetaine Micelles (pages 1893–1901)

      Vishal Govind Rao, Chiranjib Ghatak, Surajit Ghosh, Sarthak Mandal and Prof. Nilmoni Sarkar

      Article first published online: 17 FEB 2012 | DOI: 10.1002/cphc.201100866

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      Now you see me… Fluorescence probing, ζ potentials, and dynamic light scattering measurements were used to study the interactions between the zwitterionic surfactant N-hexadecyl-N,N-dimethylammonio-1-propanesulfonate (SB-16) and three methylimidazolium ionic liquids with varying sulfate chain lengths (see picture).

    27. Density, Thermal Expansion and Viscosity of Cholinium-Derived Ionic Liquids (pages 1902–1909)

      Anabela J. L. Costa, Mário R. C. Soromenho, Dr. Karina Shimizu, Dr. Isabel M. Marrucho, Dr. José M. S. S. Esperança, Dr. José N. Canongia Lopes and Prof. Luís Paulo N. Rebelo

      Article first published online: 28 FEB 2012 | DOI: 10.1002/cphc.201100852

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      Density, thermal expansion coefficient and viscosity data are reported for cholinium-based ionic liquids of the N-alkyl-N,N-dimethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethylsulfonyl)imide series (see picture). The outlier character of the first member of the homologous series is interpreted at a molecular level by means of MD simulations.

    28. Determination of Hydrogen-Bond-Accepting and -Donating Abilities of Ionic Liquids with Halogeno Complex Anions by Means of 1H NMR Spectroscopy (pages 1910–1916)

      Dr. Ralf Lungwitz and Prof.Dr. Stefan Spange

      Article first published online: 27 JAN 2012 | DOI: 10.1002/cphc.201100832

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      Two for the price of one: The imidazolium cation serves both as part of the ionic liquid (IL) and as an NMR probe. Hydrogen-bond-accepting (HBA) and donating (HBD) abilities of ILs with halogeno complex anions (X) are determined by means of 1H NMR spectroscopy (see picture). The chemical shift of the H(2) atom is a function of the HBA strength of the anion.

    29. X-Ray Photoelectron Spectroscopy of Ferrocenyl- and Ferrocenium-Based Ionic Liquids (pages 1917–1926)

      Dr. Alasdair W. Taylor and Prof. Dr. Peter Licence

      Article first published online: 27 JAN 2012 | DOI: 10.1002/cphc.201100829

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      Look sharp! X-ray photoelectron spectroscopy is used to study a series of five 1-(ferrocenylmethyl)-3-methylimidazolium- and 1-(ferroceniummethyl)-3-methylimidazolium-based salts (see picture). All samples emit good photoelectron fluxes with sharp, well-resolved photoelectron peaks.

    30. Probing Thermal Interactions of Ionic Liquids with Dimethyl Sulfoxide (pages 1927–1933)

      Gitanjali Rai and Dr. Anil Kumar 

      Article first published online: 16 FEB 2012 | DOI: 10.1002/cphc.201100821

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      Excess partial molar enthalpies of ionic liquids (ILs) equation image in DMSO are determined by isothermal titration calorimetry and used to probe IL/DMSO interactions. Protic ILs such as 1-methylimidazolium tetrafluoroborate (equation image>1) tend to remain in the ionic form in DMSO, whereas aprotic ILs like 1-butyl-3-methylimidazolium tetrafluoroborate (equation image≈1) tend to form ion pairs (see picture).

    31. Instantaneous Normal Mode Analysis of a Series of Model Molten Salts (pages 1934–1941)

      Dr. Hualin Li and Prof. Mark N. Kobrak

      Article first published online: 12 JAN 2012 | DOI: 10.1002/cphc.201100727

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      Dynamics of a fused salt were previously shown to be affected by the mass and charge distributions of its component ions. These studies are now extended by using instantaneous normal mode analysis to explore how changes in ionic structure affect translational and rotational dynamics in a series of model salts, in which the charge distribution is modified by the addition of dummy atoms.

    32. Effect of Ionic Liquid on Diffusion in P123 Gel: Fluorescence Correlation Spectroscopy (pages 1942–1948)

      Amit Kumar Mandal, Supratik Sen Mojumdar, Atanu Kumar Das and Prof. Kankan Bhattacharyya

      Article first published online: 5 JAN 2012 | DOI: 10.1002/cphc.201100717

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      Fluorescent subterfuge: The effect of two room-temperature ionic liquids (RTILs) on the diffusion of three fluorescent dyes in the gel phase of a triblock copolymer (see picture) was studied by using fluorescence correlation spectroscopy. It is shown that the RTIL affects the structure of the gel by modifying the size of the micellar aggregates and by penetrating the core.

    33. Effect of an Ionic liquid on the Unfolding of Human Serum Albumin: A Fluorescence Correlation Spectroscopy Study (pages 1949–1955)

      Dibyendu Kumar Das, Atanu Kumar Das, Amit Kumar Mandal, Tridib Mondal and Prof. Kankan Bhattacharyya

      Article first published online: 16 SEP 2011 | DOI: 10.1002/cphc.201100421

      Thumbnail image of graphical abstract

      Fluorescence fluctuations: The effect of a room temperature ionic liquid (RTIL) on the unfolding of human serum albumin (HSA) is studied by fluorescence correlation spectroscopy (see picture). The use of a denaturant (GdnHCl) in the presence of the RTIL causes significant changes in the structure and the time constants of the conformational fluctuations.

    34. What Determines the Rate of Excited-State Intramolecular Electron-Transfer Reaction of 4-(N,N′-dimethylamino)benzonitrile in Room Temperature Ionic Liquids? A Study in [bmim][PF6] (pages 1956–1961)

      Kotni Santhosh and Anunay Samanta

      Article first published online: 13 JAN 2012 | DOI: 10.1002/cphc.201100655

      Thumbnail image of graphical abstract

      Electron transfer faster than solvation: The rate of excited-state intramolecular electron-transfer reaction of DMABN in [bmim][PF6] is not determined by the dynamics of solvation.

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      Preview: ChemPhysChem 8/2012 (page 1963)

      Article first published online: 8 MAY 2012 | DOI: 10.1002/cphc.201290033

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