ChemPhysChem

Cover image for Vol. 12 Issue 11

August 1, 2011

Volume 12, Issue 11

Pages 2045–2187

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Cover Picture: Carbon Monoxide Oxidation on Pt Single Crystal Electrodes: Understanding the Catalysis for Low Temperature Fuel Cells (ChemPhysChem 11/2011) (page 2045)

      Dr. Gonzalo García and Prof. Dr. Marc T. M. Koper

      Version of Record online: 25 JUL 2011 | DOI: 10.1002/cphc.201190054

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      New advances in the fundamental understanding of reactions occurring at fuel cell catalysts, especially carbon monoxide oxidation on platinum in alkaline media is discussed in a review on p. 2064 by G. García and M. T. M. Koper. The work presented therein may help to improve the fabrication of novel electrodes in order to enhance the performance and decrease the cost of low temperature fuel cells. The picture shows an artistic view of a fuel cell vehicle that improves its working operation on stepped surfaces. However, carbon monoxide molecules inhibit the efficient working of the fuel cell.

  2. Inside Cover

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Inside Cover: Double-Oxygen-Atom Transfer in Reactions of CemO2m+ (m=2–6) with C2H2 (ChemPhysChem 11/2011) (page 2046)

      Dr. Xun-Lei Ding, Xiao-Nan Wu, Dr. Yan-Xia Zhao, Jia-Bi Ma and Prof. Sheng-Gui He

      Version of Record online: 25 JUL 2011 | DOI: 10.1002/cphc.201190055

      Thumbnail image of graphical abstract

      The picture shows double-oxygen-atom transfer from cerium oxide clusters CemO2m+ (m=2–6) to acetylene, as identified with mass spectrometry and density functional computations, described on p. 2110 by S.-G. He et al.

  3. Graphical Abstract

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

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Changes in ChemPhysChem (page 2063)

      Version of Record online: 25 JUL 2011 | DOI: 10.1002/cphc.201100536

  5. Review

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Carbon Monoxide Oxidation on Pt Single Crystal Electrodes: Understanding the Catalysis for Low Temperature Fuel Cells (pages 2064–2072)

      Dr. Gonzalo García and Prof. Dr. Marc T. M. Koper

      Version of Record online: 8 JUN 2011 | DOI: 10.1002/cphc.201100247

      Thumbnail image of graphical abstract

      Catalytic surface reactions: New fundamental advances in the field of electrocatalysis are discussed with the purpose of better understanding the reactions occurring at fuel cell catalysts in alkaline media (see picture). The present review may help to improve the fabrication of novel electrodes in order to enhance the performance and to decrease the cost of low temperature fuel cells.

  6. Highlight

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Photon Cascade with Clip-On Fluorophores (pages 2073–2075)

      Felix Friedrich and Prof. Dr. Alexander Heckel

      Version of Record online: 12 MAY 2011 | DOI: 10.1002/cphc.201100295

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      Bird on a wire: A recent study by Rant and Burley showed that it is possible to transfer excited-state energy along double-stranded DNA by arranging fluorophore relays with base-pair precision through Dervan-polyamides in a cascade-like process (see picture). The resulting assembly acts as the largest DNA-based photonic wire yet.

  7. Communications

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Molecular Mechanism of Uncaging CO2 from Nitrophenylacetate Provides General Guidelines for Improved ortho-Nitrobenzyl Cages (pages 2077–2080)

      Jan-Michael Mewes, Dr. Karsten Neumann, Dr. Mirka-Kristin Verhoefen, Dr. Georg Wille, Prof. Dr. Josef Wachtveitl and Prof. Dr. Andreas Dreuw

      Version of Record online: 7 JUN 2011 | DOI: 10.1002/cphc.201100322

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      Femtosecond spectroscopy and quantum chemical calculations provide detailed insights into the specificities of the uncaging mechanism of CO2 from ortho-, meta-, and para-nitrophenylacetate (see figure). The emerging general principles allow a rational design of improved ortho-nitrophenyl cages for chemical and biological applications.

    2. Packed to the Rafters: Filling up C60 with Rare Gas Atoms (pages 2081–2084)

      Dr. Ralf Tonner, Prof. Dr. Gernot Frenking, Dr. Matthias Lein and Prof. Dr. Peter Schwerdtfeger

      Version of Record online: 7 JUN 2011 | DOI: 10.1002/cphc.201100360

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      How many rare gas atoms can be placed in a fullerene cage until the pressure becomes large enough to break the C60 framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure.

    3. Nanoparticle–Electrode Collision Processes: The Underpotential deposition of Thallium on Silver Nanoparticles in Aqueous Solution (pages 2085–2087)

      Yi-Ge Zhou, Dr. Neil V. Rees and Prof. Dr. Richard G. Compton

      Version of Record online: 7 JUN 2011 | DOI: 10.1002/cphc.201100282

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      The electrochemistry of collisions between metal nanoparticles (NPs) and electrode surfaces has been of recent interest with the development of anodic particle coulometry as a characterisation method. For the first time the underpotential deposition of metal ions from solution onto metal nanoparticles during collisions between the NPs and an inert electrode is reported (see picture).

    4. Insights into the Induced Ultrafast Electron Delocalization in Fe(CO)5 Using Dark Channel Fluorescence Yield X-Ray Absorption (pages 2088–2091)

      Dr. Matthias Bauer, Tom Stalinski and Prof. Emad F. Aziz

      Version of Record online: 20 JUN 2011 | DOI: 10.1002/cphc.201100243

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      Well-coordinated: L2,3-edge X-ray absorption measurements of Fe(CO)5, carried out for the first time in solution, are discussed (see picture). Using the dark channel fluorescence yield technique, ultrafast delocalization processes on the femtosecond time-scale yield new insights into the electronic structure.

    5. Triple Resonance Cross-Polarization for More Sensitive 13C MAS NMR Spectroscopy of Deuterated Proteins (pages 2092–2096)

      Dr. Ümit Akbey, Francesca Camponeschi, Dr. Barth-Jan van Rossum and Prof. Hartmut Oschkinat

      Version of Record online: 8 JUN 2011 | DOI: 10.1002/cphc.201100084

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      Save the last WALTZ for me: The use of simultaneous proton and deuterium cross-polarization for 13C CPMAS NMR spectroscopy in highly deuterated proteins is discussed. The aim of the new method introduced herein, triple-resonance cross-polarization, is to increase the sensitivity of the carbon-detected methods in such systems (see picture).

    6. Changing the Position of a Bridged CH2 Group at a Fullerene Cage Surface in Electrochemical Synthesis: The Case of C70 Derivatives (pages 2097–2099)

      Dr. Sabrina Klod, Dr. Ning Chen and Prof. Dr. Lothar Dunsch

      Version of Record online: 8 JUN 2011 | DOI: 10.1002/cphc.201100056

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      Electrochemical bridges: The electrochemical synthesis of bridged methylene derivatives of C70 (see picture) opens the route to the largest variety of such C70 derivatives ever found.

  8. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Tuning of Photocatalytic Hydrogen Production and Photoinduced Intramolecular Electron Transfer Rates by Regioselective Bridging Ligand Substitution (pages 2101–2109)

      Dr. Michael Karnahl, Christian Kuhnt, Dr. Fei Ma, Prof. Dr. Arkady Yartsev, Prof. Dr. Michael Schmitt, Dr. Benjamin Dietzek, Prof. Dr. Sven Rau and Prof. Dr. Jürgen Popp

      Version of Record online: 16 JUN 2011 | DOI: 10.1002/cphc.201100245

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      A visible difference: A novel supramolecular catalyst, RuBr2tpphzPd, which is able to reduce protons to molecular hydrogen under irradiation with visible light, is presented (see picture). The impact of the bromine substituents on the catalytic properties and the ultrafast photophysics is highlighted.

    2. Double-Oxygen-Atom Transfer in Reactions of CemO2m+ (m=2–6) with C2H2 (pages 2110–2117)

      Dr. Xun-Lei Ding, Xiao-Nan Wu, Dr. Yan-Xia Zhao, Jia-Bi Ma and Prof. Sheng-Gui He

      Version of Record online: 20 JUN 2011 | DOI: 10.1002/cphc.201100216

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      New channel: Based on experimental mass spectra and density functional theory calculations, we propose a new reaction channel for hydrocarbons with metal oxide clusters in which two oxygen atoms are transferred from CemO2m+ (m=2–6) to C2H2 with the formation of ethanedial (see picture), as CemO2m++C2H2[RIGHTWARDS ARROW]CemO2m−2++C2H2O2 for m=2–6.

    3. Dealloying Ag–Al Alloy to Prepare Nanoporous Silver as a Substrate for Surface-Enhanced Raman Scattering: Effects of Structural Evolution and Surface Modification (pages 2118–2123)

      Dr. Huajun Qiu, Prof. Zhonghua Zhang, Prof. Xirong Huang and Prof. Yinbo Qu

      Version of Record online: 27 MAY 2011 | DOI: 10.1002/cphc.201100205

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      Dealloying alloys: Nanoporous Ag, a clean and stable surface-enhanced Raman spectroscopy (SERS) substrate with a high enhancement factor, has been straightforwardly fabricated by dealloying Ag–Al alloy. The dealloying conditions, such as the dealloying solution, temperature, and atomic ratio of Ag–Al alloy, have a great influence on the SERS enhancement (see picture).

    4. Experimental and Theoretical Investigation of Vibrational Spectra of Coordination Polymers Based on TCE-TTF (pages 2124–2130)

      Dr. Iwona Olejniczak, Dr. Andrzej Łapiński, Prof. Roman Świetlik, Dr. Jean Olivier, Dr. Stéphane Golhen and Dr. Lahcène Ouahab

      Version of Record online: 3 JUN 2011 | DOI: 10.1002/cphc.201100197

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      EMV effect: Vibrational spectra of TCE-TTF based coordination polymers are investigated by infrared and Raman spectroscopy as well as DFT methods (see picture). The presence of the EMV-activated antisymmetric C[DOUBLE BOND]C dimeric mode provides evidence that charge transfer takes place between TCE-TTF molecules belonging to neighbouring polymeric networks.

    5. Spectroscopy of Dibenzorubicene: Experimental Data for a Search in Interstellar Spectra (pages 2131–2137)

      Dr. Gaël Rouillé, Mathias Steglich, Dr. Cornelia Jäger, Prof. Dr. Friedrich Huisken, Prof. Dr. Thomas Henning, Gabriele Theumer, Dr. Ingmar Bauer and Prof. Dr. Hans-Joachim Knölker

      Version of Record online: 3 JUN 2011 | DOI: 10.1002/cphc.201100135

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      Spectral assignment: To evaluate the possible role of dibenzorubicene in interstellar phenomena, the laboratory absorption (IR to VUV) and emission (vis) spectra of this PAH were measured under different conditions. UV/vis absorption spectroscopy has been carried out at cryogenic temperatures in Ar and Ne matrices (see picture). All spectra were analyzed with support of theoretical results obtained with semiempirical, ab initio, DFT, and TDDFT methods.

    6. Surfactin Self-Assembles into Direct and Reverse Aggregates in Equilibrium and Performs Selective Metal Cation Extraction (pages 2138–2144)

      Dr. Christophe Déjugnat, Dr. Olivier Diat and Prof. Thomas Zemb

      Version of Record online: 30 MAY 2011 | DOI: 10.1002/cphc.201100094

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      Two-way traffic: The natural lipopeptide surfactin is a versatile amphiphile, capable of partitioning between two immiscible solvents such as water and alkanes. Thanks to its conformational flexibility, the biosurfactant adapts its structure and self-assembles at low concentration to form both reverse and direct micelles in equilibrium in biphasic systems. Another asset of this system is the efficient and selective separation of metal ions (see picture).

    7. Daytime Reactions of 1,8-Cineole in the Troposphere (pages 2145–2154)

      Dr. Antonio A. Ceacero-Vega, Dr. Bernabé Ballesteros, Dr. Iustinian Bejan, Dr. Ian Barnes and Prof. José Albaladejo

      Version of Record online: 14 JUN 2011 | DOI: 10.1002/cphc.201100077

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      Tropospheric Implications: Relative rate coefficients for the gas-phase reaction of chlorine atoms and hydroxyl radicals (OH) with 1,8-cineole were determined by Fourier-transform infrared spectroscopy between 285 and 313 K at atmospheric pressure (see picture). Reported peak value and averaged concentrations of Cl and OH were used to estimate the tropospheric lifetimes for the reactions with 1,8-cineole.

    8. Defect-Assisted Covalent Binding of Graphene to an Amorphous Silica Surface: A Theoretical Prediction (pages 2155–2159)

      Kyoung E. Kweon and Prof. Gyeong S. Hwang

      Version of Record online: 8 JUN 2011 | DOI: 10.1002/cphc.201100055

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      Graphene–SiO2covalent binding: A mechanism for defect-assisted covalent binding of graphene to the surface of amorphous silica is proposed based on first-principles density functional calculations (see picture). This study demonstrates the possibility of manipulating the nature of the binding interaction of graphene with a-SiO2 by chemically modifying the a-SiO2 surface.

    9. Glycine Peptide Bond Formation Catalyzed by Faujasite (pages 2160–2168)

      Oranit Phuakkong, Karan Bobuatong, Prof. Dr. Piboon Pantu, Dr. Bundet Boekfa, Prof. Dr. Michael Probst and Prof. Dr. Jumras Limtrakul

      Version of Record online: 22 JUN 2011 | DOI: 10.1002/cphc.201100047

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      Structures and mechanisms of peptide bond formation between two glycine molecules catalyzed by zeolite faujasite are assessed by density functional theory (see picture). There are three possible adsorption orientations for the first adsorbed glycine molecule which lead to different reaction pathways. These are, amino-bound, carboxyl-bound, and hydroxyl-bound configurations.

    10. Alternating-Current Measurements in Scanning Electrochemical Microscopy, Part 1: Principle and Theory (pages 2169–2176)

      Dao Trinh, Dr. Michel Keddam, Prof. Xosé R. Novoa and Dr. Vincent Vivier

      Version of Record online: 1 JUN 2011 | DOI: 10.1002/cphc.201001084

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      AC-mode electrochemical microscopy is treated from the viewpoints of numerical simulations and experiments performed with the ferri/ferrocyanide redox mediator as model system. Specific attention is paid to describing the diffusion process between probe and substrate. The picture shows a schematic of the background of ac-SECM measurements.

    11. Alternating Current Measurements in Scanning Electrochemical Microscopy, Part 2: Detection of Adsorbates (pages 2177–2183)

      Dao Trinh, Dr. Michel Keddam, Prof. Xosé Ramón Novoa and Dr. Vincent Vivier

      Version of Record online: 31 MAY 2011 | DOI: 10.1002/cphc.201001085

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      Characterisation of adsorbed species during the hydrogen evolution reaction (HER) on a Pt electrode in sulfuric acid solution (see picture) is performed with a scanning electrochemical microscope (SECM) in ac mode. This technique allows quantitative analysis of the adsorption process, measurements of the differential capacitance with the frequency as parameter are obtained, and analysis of the Nyquist plot allows direct evaluation of the charge involved.

  9. Book Review

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
    1. Computational Chemistry Workbook. by Thomas Heine, Jan-Ole Joswig, Achim Gelessus. (page 2184)

      Prof. Dr. Ralf Ludwig

      Version of Record online: 31 MAY 2011 | DOI: 10.1002/cphc.201000687

      Wiley VCH, Weinheim 2009. 234 pages, softcover, € 41.90—ISBN 978-3-527-32442-2

  10. Preview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Highlight
    8. Communications
    9. Articles
    10. Book Review
    11. Preview
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      Preview: ChemPhysChem 12/2011 (page 2187)

      Version of Record online: 25 JUL 2011 | DOI: 10.1002/cphc.201190058

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