ChemPhysChem

Cover image for Vol. 11 Issue 1

January 18, 2010

Volume 11, Issue 1

Pages 1–315

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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    1. Cover Picture: Ortho-Dichlorobenzene Doped with Terrylene—a Highly Photo-Stable Single-Molecule System Promising for Photonics Applications (ChemPhysChem 1/2010) (page 1)

      Alexey A. Gorshelev, Andrei V. Naumov, Ivan Yu. Eremchev, Yury G. Vainer, Lothar Kador and Jürgen Köhler

      Version of Record online: 8 JAN 2010 | DOI: 10.1002/cphc.201090000

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      The cover picture shows structural formulae of crystalline ortho-dichlorobenzene doped with terrylene and an example of a single-molecule fluorescence excitation spectrum. This system reveals huge fluorescence emission rates, extraordinary spectral stability, absence of blinking, and a broad inhomogeneous distribution. As shown by A. V. Naumov et al. on p. 182, it makes Tr/o-DCB very promising for single-molecules spectroscopy and different photonics applications.

  2. Inside Cover

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
    12. Preview
    1. Inside Cover: Structural Identification of Spectroscopic Substates in Neuroglobin (ChemPhysChem 1/2010) (page 2)

      Karin Nienhaus, Stephan Lutz, Markus Meuwly and G. Ulrich Nienhaus

      Version of Record online: 8 JAN 2010 | DOI: 10.1002/cphc.201090002

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      Transient docking sites of photodissociated CO near the heme prosthetic group of neuroglobin were identified by comparing measured infrared spectra with those computed from molecular dynamics simulation data. Moreover, a definitive assignment of the protonation state of the functionally important His64 was achieved by M. Meuwly, G. U. Nienhaus et al. on p. 119.

  3. Editorial

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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      Editorial: ChemPhysChem at 10 (pages 3–6)

      Peter Gölitz and Greta Heydenrych

      Version of Record online: 8 JAN 2010 | DOI: 10.1002/cphc.200900940

  4. Graphical Abstract

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
    12. Preview
  5. News

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
    12. Preview
  6. Review

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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    1. Electrochemical Properties of Phospholipid Monolayers at Liquid–Liquid Interfaces (pages 28–41)

      Hélder A. Santos, Vladimir García-Morales and Carlos M. Pereira

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900609

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      Adsorbed phospholipids at liquid–liquid interfaces: Models built at the interface between two immiscible electrolytes (ITIES, see figure) are presented. Eelctrochemical methods are described. Electrochemical and physicochemical properties of (modified) phospholipid monolayers and their interaction with other biologically relevant compounds are outlined.

  7. Minireview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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    1. Fluorescent Probes and Delivery Methods for Single-Molecule Experiments (pages 43–53)

      Konstantinos Lymperopoulos, Alexander Kiel, Anne Seefeld, Katharina Stöhr and Dirk-Peter Herten

      Version of Record online: 4 DEC 2009 | DOI: 10.1002/cphc.200900359

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      Every biologist's dream: The wealth of single-molecule fluorescence methods and their applications creates a need for versatile probe customisation. The development of novel fluorescent probes, ways to increase probe availability and alternative delivery methods in living cells are reviewed (see picture).

  8. Highlights

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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    1. Selective Guest Docking in Metal-Organic Framework Materials (pages 55–57)

      Saman Alavi

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/cphc.200900723

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      Pick and choose: The first metal-organic framework (MOF) material incorporating a macrocyclic binding group (see picture) has recently been synthesized and is highlighted. This material can lead to very specific guest–host bonding in the MOF phase and provides a prototype for incorporating chemical sensors, molecular machines and chemical data storage units in MOFs.

    2. Multiferroicity in In-Containing Perovskites (pages 58–60)

      José A. Alonso

      Version of Record online: 13 NOV 2009 | DOI: 10.1002/cphc.200900806

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      A new class of perovskite materials containing Indium at the A positions is Highlighted herein. New oxides of composition (In1−xMx)MO3 (x=0.112–0.176, M=Fe0.5Mn0.5), prepared at high pressures, exhibit the same structure as BiFeO3 (see picture) with TN close to RT and show multiferroic properties. This work shows that a polar distortion can be realized without the presence of a lone electron pair.

  9. Communications

    1. Top of page
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    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
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    1. Preparation of Solvent-Free Gold Nanofluids with Facile Self-Assembly Technique (pages 61–64)

      Yaping Zheng, Jiaoxia Zhang, Lan Lan, Peiying Yu, Robert Rodriguez, Rafeal Herrera, Dongyan Wang and Emmanuel P. Giannelis

      Version of Record online: 12 NOV 2009 | DOI: 10.1002/cphc.200900640

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      Do the two-step: A two-step process to make solvent-free gold nanofluids is reported (see picture). The method comprises the grafting of the thiol MUA onto the gold-nanoparticle surface, followed by self-assembly with a PEG-substituted tertiary amine. The surface functionization adds some novel properties to the nanoparticles, such as conductivity and fluidity.

    2. Interface Water Catalysis of the Epoxide Opening (pages 65–69)

      Yiying Zheng and Jingping Zhang

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900519

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      The water acceleration of the nucleophilic opening of cyclohexadiene monoepoxide is investigated theoretically. The results show that the water catalyst accelerates the reaction not only by assisting the proton-transfer step but also by strengthening the entering and leaving groups through a charge-transfer process that is induced by the different strengths between two proton-transfer processes.

    3. Anomalous Preservation of CH4 Hydrate and its Dependence on the Morphology of Hexagonal Ice (pages 70–73)

      Satoshi Takeya and John A. Ripmeester

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900731

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      Trapped: Anomalous preservation, the existence of gas hydrates far outside their stability zone below the melting point of ice, is shown to depend on the type of guest molecule, the morphology of hexagonal ice that grows during hydrate dissociation and the mode of decomposition (see graphic).

    4. Patterned CNT Arrays for the Evaluation of Oxygen Reduction Activity by SECM (pages 74–78)

      Stefanie Schwamborn, Leonard Stoica, Xingxing Chen, Wei Xia, Shankhamala Kundu, Martin Muhler and Wolfgang Schuhmann

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900744

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      Precision work: The spatially confined deposition of Fe nanoparticles on a glassy carbon surface using a droplet cell allows the catalytic growth of carbon nanotubes (CNTs) on the locally confined Fe-modified areas in a chemical vapour deposition process. These CNTs, partially decorated with Pt nanoparticles, are evaluated for their activity in the oxygen reduction reaction (see picture).

    5. Active Metal Electrode–Oxide Interface in Gas Sensor Operation Probed by In Situ and Time-Resolved X-Ray Spectroscopy (pages 79–82)

      Aleksander Gurlo and Ralf Riedel

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900773

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      The feasibility of the in situ and operando methodology in studying the chemical and electronic phenomena associated with an active metal electrode–oxide interface in metal-oxide-based gas sensors (picture) is demonstrated. It is experimentally verified that the Pt electrodes in metal-oxide based gas sensors are partially oxidised and that the oxidised Pt electrodes contribute to overall sensing performance.

    6. Adsorbate-Induced Changes in Surface Potential of Gold Nanoparticles Revealed by Raman Spectroscopy (pages 83–86)

      Dongha Shin, Kwan Kim and Kuan S. Shin

      Version of Record online: 28 OCT 2009 | DOI: 10.1002/cphc.200900780

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      Sensitive “hot spot”: Upon exposure to polar organic vapors like acetone and ammonia, a large peak shift is observed for the NC stretching band of 1,4-PDI that is situated in the gap between a gold electrode and gold nanoparticles (see figure). The peak shift is due to the large surface-to-volume ratio of Au nanoparticles.

    7. Ionic Liquids as Solvent Probes for NMR Cryoporometry (pages 87–89)

      Peter S. Schulz

      Version of Record online: 18 NOV 2009 | DOI: 10.1002/cphc.200900804

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      Measuring pores: Ionic liquids, such as 1-butyl-2,3-dimethyl imidazolium trifluoromethylsulfonate are suitable as a solvent probe for cryoporometry. Their high wetting ability, adjustable hydrophilicity and adjustable melting points are properties which are useful for this method (see graph).

    8. Formation of the Magic L-Serine Octamer in Helium Nanodroplets (pages 90–92)

      Filipe Ferreira da Silva, Peter Bartl, Stephan Denifl, Tilmann D. Märk, Andrew M. Ellis and Paul Scheier

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900826

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      It′s a kind of magic: Electron ionization of helium nanodroplets doped with L-serine clusters forms protonated serine cluster ions. For small droplets vaporization of serine molecules leads to a magic octamer which is suppressed in the case of large He droplets (see picture).

    9. High-Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane (pages 93–96)

      Raja S. Chellappa, Thomas Autrey, Maddury Somayazulu, Viktor V. Struzhkin and Russell J. Hemley

      Version of Record online: 4 DEC 2009 | DOI: 10.1002/cphc.200900829

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      Raman spectroscopy reveals complex interactions of H2 and D2 at elevated pressures with polyaminoborane (PAB) and polyiminoborane (PIB) obtained by thermolysis of ammonia borane (AB, see scheme). A η2-H2 model for PIB[BOND]H2 complexation is proposed while the H/D exchange and complexation in PAB is proposed to be mediated by formation of transient “polymeric” frustrated Lewis pairs (FLPs).

    10. Self-Assembly of a Two-Dimensional Bimetallic Coordination Framework and Dynamic Control of Reversible Conversions to Homo-Metallic Hydrogen-Bond Arrays (pages 97–100)

      Ziliang Shi and Nian Lin

      Version of Record online: 12 NOV 2009 | DOI: 10.1002/cphc.200900756

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      A novel 2D coordination bimetallic framework composed of Cu and Zn is obtained at a Au(111) surface by the supramolecular assembly of Cu and zinc-5,10,15,20-tetra(4-pyridyl)porphyrin molecules (see figure). Suppressing Cu concentration at high temperature transforms the 2D bimetallic frameworks into 2D homo-metallic hydrogen-bond arrays. Enriching the Cu concentration can reverse the structural transformation.

    11. Electrically Programmable Nematofluidics with a High Level of Selectivity in a Hierarchically Branched Architecture (pages 101–104)

      Yu-Jin Na, Tae-Young Yoon, Seungchul Park, Byoungho Lee and Sin-Doo Lee

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900778

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      Go with the flow: A concept of nematofluidics that provides a simple, programmable, and hierarchically branched architecture of microfluidics where a nematic liquid crystal (LC) is used as an anisotropic fluid (see picture) is presented. Based on anisotropic flow resistance this method provides a fast and hierarchical channel selection in microfluidics.

    12. Acidity of Amorphous Silica–Alumina: From Coordination Promotion of Lewis Sites to Proton Transfer (pages 105–108)

      Céline Chizallet and Pascal Raybaud

      Version of Record online: 30 OCT 2009 | DOI: 10.1002/cphc.200900797

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      Local structure resolved: The debated nature of Brønsted acid sites on amorphous silica–alumina is investigated by DFT calculations. Bridging Si[BOND](OH)[BOND]Al and pseudo-bridging silanols, in through-space interaction with AlIV or SiIV, are deprotonated by nitrogenated probe molecules, simultaneously forming pentacoordinated species (see picture).

    13. Protein Conformational Dynamics of Homodimeric Hemoglobin Revealed by Combined Time-Resolved Spectroscopic Probes (pages 109–114)

      Jungkweon Choi, Srinivasan Muniyappan, John T. Wallis, William E. Royer Jr. and Hyotcherl Ihee

      Version of Record online: 18 NOV 2009 | DOI: 10.1002/cphc.200900822

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      Allosteric regulation: The protein kinetics of the R–T transition of homodimeric hemoglobin (HbI) in solution are investigated using combined spectroscopic probes (see figure). The comparative results using both transient absorption spectroscopy and transient grating techniques show that the former can be blind to the overall quaternary structural change.

    14. Ablation and Deposition of Poly(dimethylsiloxane) with X-Rays (pages 115–118)

      Byung Mook Weon , Yong Bum Kwon, Kyu Hwang Won, Jewon Yoo, Jung Ho Je, Ming Li and Jong Hoon Hahn

      Version of Record online: 18 NOV 2009 | DOI: 10.1002/cphc.200900841

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      An efficient and practical protocol in atmospheric and room-temperature conditions for the direct surface modification of PDMS is achieved using X-ray irradiation. This enables not only to “ablate” hydrophobic molecules from PDMS, rendering the surface hydrophilic, but also to “deposit” them on flat and nanostructure surfaces, inducing hydrophobic surfaces (see picture).

  10. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Editorial
    5. Graphical Abstract
    6. News
    7. Review
    8. Minireview
    9. Highlights
    10. Communications
    11. Articles
    12. Preview
    1. Structural Identification of Spectroscopic Substates in Neuroglobin (pages 119–129)

      Karin Nienhaus, Stephan Lutz, Markus Meuwly and G. Ulrich Nienhaus

      Version of Record online: 4 DEC 2009 | DOI: 10.1002/cphc.200900637

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      Structural origins: The infrared absorptions of photodissociated CO in murine neuroglobin (Ngb) are determined by combining Fourier transform infrared (FTIR) spectroscopy and molecular dynamics (MD) simulations. Such an approach allows to identify and characterize both the different conformations of the Ngb active site and the transient ligand docking sites (see figure).

    2. Using End Groups to Tune the Linear and Nonlinear Optical Properties of Bis(dioxaborine)-Terminated Polymethine Dyes (pages 130–138)

      Jonathan D. Matichak, Joel M. Hales, Shino Ohira, Stephen Barlow, Sei-Hum Jang, Alex K.-Y. Jen, Jean-Luc Brédas, Joseph W. Perry and Seth R. Marder

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900635

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      Increasing conjugation: Six pentamethine dyes were synthesized to increase conjugation beyond the dioxaborine termini, which results in an overall increase in Re(γ) [see picture]. However, the effects are smaller than those found by increasing conjugation in the polymethine bridge, due to reduced participation of terminal groups in the HOMO.

    3. Conductivity of Poly(pyrrole)-Poly(styrene sulfonate) Core–Shell Nanoparticles (pages 139–148)

      Konstantinos Mpoukouvalas, Jianjun Wang and Gerhard Wegner

      Version of Record online: 8 DEC 2009 | DOI: 10.1002/cphc.200900643

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      The counter ion matters: Film-forming materials which may serve as hole-injection-layers in organic light-emitting diodes, exhibit a core–shell-type morphology (see simplified sketch) with a core of electrically insulating poly(styrene) and a shell consisting of a corona of PSS chains which form the matrix in which the electrically conducting complex of PPy and PSS is embedded.

    4. Diffusion from within a Spherical Body with Partially Blocked Surface: Diffusion through a Constant Surface Area (pages 149–158)

      Christian Amatore, Alexander I. Oleinick and Irina Svir

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900646

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      The development of nanoscience and the improved understanding of microscopic biological events have evidenced that diffusion from spherical bodies is a ubiquitous problem. The authors analyze this situation and establish that (with some specific allowance) the basic analytical equation of diffusion from/to fully accessible spherical bodies may be used. The picture shows quasi-steady-state concentration maps at different opening angles.

    5. Reconstruction of Aperture Functions during Full Fusion in Vesicular Exocytosis of Neurotransmitters (pages 159–174)

      Christian Amatore, Alexander I. Oleinick and Irina Svir

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900647

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      Release from a spherical vesicle: Reconstruction of the aperture function, equation image, from an experimental amperometric spike, i(t), during one vesicular exocytosis event (see picture) may be achieved using a quasi-conformal mapping approach for numerical simulations.

    6. Comprehensive Analysis of DNA Strand Breaks at the Guanosine Site Induced by Low-Energy Electron Attachment (pages 175–181)

      Jiande Gu, Jing Wang and Jerzy Leszczynski

      Version of Record online: 20 NOV 2009 | DOI: 10.1002/cphc.200900656

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      Dangerously low: In a comprehensive analysis of the DNA strand breaks at the guanosine site induced by low-energy electron attachment (see graph), the authors find qualitative agreement between the theoretical sequence of the bond breaking reaction pathways and the ratio of the corresponding bond breaks observed experimentally.

    7. Ortho-Dichlorobenzene Doped with Terrylene—a Highly Photo-Stable Single-Molecule System Promising for Photonics Applications (pages 182–187)

      Alexey A. Gorshelev, Andrei V. Naumov, Ivan Yu. Eremchev, Yury G. Vainer, Lothar Kador and Jürgen Köhler

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900651

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      A promising system: Crystalline ortho-dichlorobenzene doped with terrylene (see picture) reveals huge fluorescence emission rates, extraordinary spectral stability, absence of blinking, and a broad inhomogeneous distribution. It makes Tr/o-DCB promising for single-molecule spectroscopy (see inset) and different photonics applications.

    8. Salt Effects in the Cononsolvency of Poly(N-isopropylacrylamide) Microgels (pages 188–194)

      Teresa López-León, Delfina Bastos-González, Juan Luis Ortega-Vinuesa and Abdelhamid Elaïssari

      Version of Record online: 23 DEC 2009 | DOI: 10.1002/cphc.200900491

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      Mixed solvents: The cononsolvency of PNIPAM microgels in ethanol/water mixtures is dramatically affected by the presence of electrolytes in solution. Ions with kosmotropic character compete with ethanol for the water molecules, intensifying the nonsolvency of the PNIPAM with the EtOH volume fraction (ϕe , see figure).

    9. Hydrogen Radical Additions to Unsaturated Hydrocarbons and the Reverse β-Scission Reactions: Modeling of Activation Energies and Pre-Exponential Factors (pages 195–210)

      Maarten K. Sabbe, Marie-Françoise Reyniers, Michel Waroquier and Guy B. Marin

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900509

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      It all adds up: A consistent set of group additive values is derived to calculate the activation energy and pre-exponential factor for a broad range of hydrogen addition reactions and their reverse β-scission reactions, which are important in thermal processes based on radical chemistry. The picture shows the transition state for the β-scission of the allyl radical towards allene.

    10. Ionic Ingress and Charge-Neutralization Phenomena of Conducting-Polymer Films (pages 211–219)

      Saptarshi Majumdar, Paratha S. Ray, Kajari Kargupta and Saibal Ganguly

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900522

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      In charge: For precise control of molecular delivery using conducting-polymer-based electrodes/membranes, the effects of local charge accumulation and deviation from the electroneutrality assumption (see picture) need to be taken into account to correctly predict the electrochemical transport inside the polymer matrix.

    11. Global Minimum-Energy Structure and Spectroscopic Properties of I2.−n H2O Clusters: A Monte Carlo Simulated Annealing Study (pages 220–228)

      Arup Kumar Pathak, Tulsi Mukherjee and Dilip Kumar Maity

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900551

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      Extrapolating bulk-solution properties from finite-size hydrated clusters: The bulk vertical detachment energy (VDE) of I2.− in aqueous solution can be obtained from the calculated values VDEn of finite-size small hydrated clusters I2.−n H2O (n=1–10) by applying a simple extrapolation procedure based on the best-fit equation VDEn=8.88−8.5(n+3.5)−1/3 (see picture).

    12. Remote Sensitized Photoisomerization via Through-Bond Triplet–Triplet Energy Transfer Mediated by a Salt Bridge in a Supramolecular Dyad (pages 229–235)

      Lei Han, Hengxing Wei, Shayu Li, Jinping Chen, Yi Zeng, Ying-Ying Li, Yongbin Han, Yi Li, Shuangqing Wang and Guoqiang Yang

      Version of Record online: 9 NOV 2009 | DOI: 10.1002/cphc.200900556

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      Efficient energy-transfer: The non-covalent bonds (amidinium-carboxylate salt bridge) can mediate the triplet–triplet energy transfer process efficiently in the supramolecular dyad, benzophenone–(amidinium-carboxylate)-norbornadiene, inducing the remote sensitized photoisomerizaiton of norbornadiene to the quadricyclane (see figure).

    13. An Alternative Approach to Quantify Partition Processes in Confined Environments: The Electrochemical Behavior of PRODAN in Unilamellar Vesicles (pages 236–244)

      Fernando Moyano, Patricia G. Molina, Juana J. Silber, Leonides Sereno and N. Mariano Correa

      Version of Record online: 26 NOV 2009 | DOI: 10.1002/cphc.200900557

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      Self-aggregation: A new electrochemical approach is proposed for determining the partition constant of 6-propionyl-2-dimethyl amino naphthalene (PRODAN) between water and 1,2-di-oleoyl-sn-glycero-3-phosphatidylcholine (DOPC) large-unilamellar-vesicle bilayers (see picture).

    14. Bandgap Modulation in Efficient n-Thiophene Absorbers for Dye Solar Cell Sensitization (pages 245–250)

      Eva Mª Barea, Rubén Caballero, Francisco Fabregat-Santiago, Pilar De La Cruz, Fernando Langa and Juan Bisquert

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900605

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      Dyes as sensitizers: Increasing the conjugation length of thienylenevinylene dyes results in a red-shift of the optical absorption from 550 to 750 nm, improving the spectral overlap with the solar spectrum. The photovoltaic performance of these dyes as sensitizers in mesoporous TiO2 solar cells shows a clear correlation of increasing photocurrent with the extension of the conjugation up to an optimal length (see figure).

    15. A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence (pages 251–259)

      Chun-Gang Min, Ai-Min Ren, Jing-Fu Guo, Zhong-Wei Li, Lu-Yi Zou, John D. Goddard and Ji-Kang Feng

      Version of Record online: 24 NOV 2009 | DOI: 10.1002/cphc.200900607

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      Why does it glow multicolor? The effects of resonance structures on multicolor chemiluminescence are investigated by means of time-dependent density functional theory (TDDFT) (see picture). Sodium and ammonium cations are added to study the effects of counter ions and of the N-terminus of an amino acid with positive charge, respectively.

    16. Probing the Local Structure of Pure Ionic Liquid Salts with Solid- and Liquid-State NMR (pages 260–268)

      Peter G. Gordon, Darren H. Brouwer and John A. Ripmeester

      Version of Record online: 18 NOV 2009 | DOI: 10.1002/cphc.200900624

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      Finding order: Quadrupolar nuclei are used as NMR probes to extract information about the solid and possible residual order in the liquid state of room-temperature ionic liquids (see picture). To this end, the anisotropic nature and field dependence of quadrupolar and chemical shift interactions are exploited.

    17. Electronic Structure and Interface Properties of a Model Molecule for Organic Solar Cells (pages 269–275)

      Holger Hintz, Heiko Peisert, Umut Aygül, Florian Latteyer, Indro Biswas, Peter Nagel, Michael Merz, Stefan Schuppler, Dietrich Breusov, Sybille Allard, Ullrich Scherf and Thomas Chassé

      Version of Record online: 20 NOV 2009 | DOI: 10.1002/cphc.200900626

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      In the spotlight: The electronic structure of a model compound for organic solar cells and its interface properties with gold is studied using X-ray photoemission spectroscopy, valence-band ultraviolet photoemission spectroscopy, X-ray absorption spectroscopy and resonant photoemission. Photoemission studies reveal a chemical reaction between the molecule and gold (see picture).

    18. High Electrocatalytic Activity of Pt–Pd Binary Spherocrystals Chemically Assembled in Vertically Aligned TiO2 Nanotubes (pages 276–284)

      Yanzhu Lei, Guohua Zhao, Xili Tong, Meichuan Liu, Dongming Li and Rong Geng

      Version of Record online: 18 NOV 2009 | DOI: 10.1002/cphc.200900628

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      Pulsed-current deposition with the assistance of ultrasonication is used to embed Pt–Pd bimetallic spherocrystals (see depicted SEM image) in vertically aligned TiO2 nanotubes on a Ti substrate. Sunken structures are obtained which exhibit large surface area and high dispersion. The constructed composite catalysts show superior catalytic activity and long-term stability in electro-oxidation of methanol.

    19. Systematic Dielectric and NMR Study of the Ionic Liquid 1-Alkyl-3-Methyl Imidazolium (pages 285–294)

      Kenji Nakamura and Toshiyuki Shikata

      Version of Record online: 8 DEC 2009 | DOI: 10.1002/cphc.200900642

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      Dynamics of ionic liquids: Broad band dielectric relaxation and NMR studies for a series of 1-alkyl-3-methylimidazolium cations and various counter anionic species provide the dynamical aspects for ionic liquid molecules (see figure).

    20. Electrochemical Hydrogen Storage in Ti1.6V0.4Ni1−xCox Icosahedral Quasicrystalline Alloys (pages 295–300)

      Wen Hu, Xiao D. Niu, Masaharu Watada, Yoshiteru Kawabe, Yao M. Wu, Li D. Wang and Li M. Wang

      Version of Record online: 12 NOV 2009 | DOI: 10.1002/cphc.200900664

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      Quasicrystalline hydrogen storage materials: Addition of elemental Co element into bulk Ti1.6V0.4Ni alloy forms the icosahedral phase, characterized by its decagonally arranged spots and no translational symmetry in the high-resolution electron microscopy image (see picture). With optimal loading of Co, the anodic cycling stability is enhanced, which has important implications regarding the practical application of Ni/MH batteries.

    21. Oriented Electric Fields Accelerate Diels–Alder Reactions and Control the endo/exo Selectivity (pages 301–310)

      Rinat Meir, Hui Chen, Wenzhen Lai and Sason Shaik

      Version of Record online: 8 DEC 2009 | DOI: 10.1002/cphc.200900848

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      May the field be with you: Calculations and valence bond modeling show that an external electric field along the reaction axis of Diels–Alder reactions catalyzes/inhibits the rate, and in the perpendicular direction controls the endo/exo selectivity (see picture).

  11. Preview

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    1. Preview: ChemPhysChem 2/2010 (page 315)

      Version of Record online: 8 JAN 2010 | DOI: 10.1002/cphc.201090003

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