ChemPhysChem

Cover image for Vol. 11 Issue 12

August 23, 2010

Volume 11, Issue 12

Pages 2457–2651

  1. Cover Picture

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    1. Cover Picture: Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap (ChemPhysChem 12/2010) (page 2457)

      Wenhua Chen, Quantong Shen, Robert A. Bartynski, Payam Kaghazchi and Timo Jacob

      Article first published online: 16 AUG 2010 | DOI: 10.1002/cphc.201090058

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      Surface faceting is used to prepare a nanoscale model Ir catalyst. The cover picture illustrates a schematic of the faceting process on Ir(210) and single three-sided pyramid on faceted Ir(210) exposing (311), (31equation image) and (110) facets. Clean planar Ir(210) and clean faceted Ir(210) are then used to study reduction of NO by CO as described on p. 2515 by W. Chen et al.

  2. Inside Cover

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    1. Inside Cover: Probing the Reactivity of ZnO and Au/ZnO Nanoparticles by Methanol Adsorption: A TPD and DRIFTS Study (ChemPhysChem 12/2010) (page 2458)

      Kevin Kähler, Marie Christine Holz, Markus Rohe, Jennifer Strunk and Martin Muhler

      Article first published online: 16 AUG 2010 | DOI: 10.1002/cphc.201090059

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      The picture shows the results of a temperature-programmed desorption experiment after methanol adsorption on pure ZnO nanoparticles. Two distinguishable methoxy species assigned to ZnO(10-10) and ZnO(000-1) facets are thermally converted into two different formate species. The influence of Au decoration of ZnO is investigated, as described on p. 2521 by M. Muhler et al.

  3. Graphical Abstract

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    1. Graphical Abstract: ChemPhysChem 12/2010 (pages 2459–2467)

      Article first published online: 16 AUG 2010 | DOI: 10.1002/cphc.201090060

  4. News

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  5. Minireview

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    1. Make them Blink: Probes for Super-Resolution Microscopy (pages 2475–2490)

      Jan Vogelsang, Christian Steinhauer, Carsten Forthmann, Ingo H. Stein, Britta Person-Skegro, Thorben Cordes and Philip Tinnefeld

      Article first published online: 14 JUL 2010 | DOI: 10.1002/cphc.201000189

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      Make them blink: Switching fluorescent molecules between a bright and a dark state is essential to super-resolution. Different switching mechanisms (see picture) and their applicability for super-resolution microscopy with a focus on electron transfer based switching are discussed. Furthermore, factors that influence the resolution and present calibration methods for super-resolution microscopy are outlined.

  6. Highlight

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    1. Energy Landscapes of Clusters Bound by Short-Ranged Potentials (pages 2491–2494)

      David J. Wales

      Article first published online: 11 JUN 2010 | DOI: 10.1002/cphc.201000233

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      New vistas: New data for the properties of clusters in the mesoscopic regime is highlighted. Using colloidal particles of polystyrene microspheres as “pseudoatoms”, direct structural information from optical microscopy has been obtained. The ability to distinguish different geometries provides details for comparison with calculations based on model potentials (see picture).

  7. Communications

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    1. Double-Bond versus Triple-Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor–Acceptor Chromophores? (pages 2495–2498)

      Maj-Britt Suhr Kirketerp, Michael Åxman Petersen, Marius Wanko, Henning Zettergren, Angel Rubio, Mogens Brøndsted Nielsen and Steen Brøndsted Nielsen

      Article first published online: 2 AUG 2010 | DOI: 10.1002/cphc.201000464

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      Double vs triple: How is the electronic coupling between the donor and acceptor affected by alkene vs alkyne bridges? To address this question the authors have elucidated the intrinsic optical properties of p-nitrophenolates by using state-of-the-art gas-phase spectroscopy (see picture) and excited-state calculations.

    2. White Luminescent Silica Layers: The Molecular Design Beneath (pages 2499–2502)

      Lidia Armelao, Gregorio Bottaro, Silvio Quici, Chiara Scalera, Marco Cavazzini, Gianluca Accorsi and Margherita Bolognesi

      Article first published online: 19 JUL 2010 | DOI: 10.1002/cphc.201000450

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      United for white: Bright white silica single layers are obtained by exploiting efficient red (Eu3+) and green (Tb3+) luminescent antenna complexes and a blue-light-emitting carbazole derivative (see picture). By combining the mild sol–gel solution route with the peculiar chemical and photophysical behaviour of selected light-emitting species, white luminescent materials with colour stability and shaped architecture are easily obtained through a molecular design strategy.

    3. Deciphered Chemical Shifts in Aliased Spectra Recorded with two Slightly Different Narrow Windows or Differential Chemical Shift Evolution (pages 2503–2505)

      Mohammadali Foroozandeh and Damien Jeannerat

      Article first published online: 19 JUL 2010 | DOI: 10.1002/cphc.201000421

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      The overlap of two HSQC spectra recorded with 10 and 9.9 ppm carbon spectral windows gives rise to highly resolved signals with a pattern providing unambiguous precise and accurate chemical shifts (see picture). Alternatively, the new DENA-HSQC pulse sequence takes advantage of a differential evolution of carbon chemical shift to do the same in a single experiment. Combined with multiplicity edition, DENA-HSQC advantageously replaces commonly used 1D DEPT-135 experiments.

    4. One-Dimensional Oxide–Metal Hybrid Structures: Site-Specific Enhanced Reactivity for CO Oxidation (pages 2506–2509)

      Svetlozar Surnev, Francesco Allegretti, Georg Parteder, Thomas Franz, Florian Mittendorfer, Jesper N. Andersen and Falko P. Netzer

      Article first published online: 19 JUL 2010 | DOI: 10.1002/cphc.201000343

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      NiOxnanowires coupled to the steps of a vicinal Rh surface (see picture) display an enhanced reactivity for the oxidation reaction of CO. High-resolution photoelectron spectroscopy follows the reactant species at the surface and DFT calculations of the transition-state energies reveal reduced reaction barriers at NiOx/Rh hybrid sites.

    5. Self-Probing of Micellization within Phenyl-Containing Surfactant Solutions (pages 2510–2513)

      Hari Om, Gary A. Baker, Kamalakanta Behera, Vinod Kumar, Krishan K. Verma and Siddharth Pandey

      Article first published online: 14 JUL 2010 | DOI: 10.1002/cphc.201000390

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      When the bubble forms: An application of non-invasive investigation of ionic surfactants based on fluorescence spectroscopy is presented. Relative fluorescence intensities at 305 nm as a function of [sodium dodecylbenzenesulfonate] in its aqueous solution is shown in the picture. The breaks in the intensity occur at [SDBS]=CMC.

  8. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Minireview
    7. Highlight
    8. Communications
    9. Articles
    10. Preview
    1. Reduction of NO by CO on Unsupported Ir: Bridging the Materials Gap (pages 2515–2520)

      Wenhua Chen, Quantong Shen, Robert A. Bartynski, Payam Kaghazchi and Timo Jacob

      Article first published online: 15 JUL 2010 | DOI: 10.1002/cphc.201000254

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      Clean nanofaceted Ir(210) and planar Ir(210) demonstrate 1) structure sensitivity in reduction of NO by CO on faceted Ir vs planar Ir, 2) size effects in reduction of NO by CO on faceted Ir for 5–14 nm average facet size, and 3) “explosive” evolution of N2 and CO2 on planar Ir (see sharp peak in the temperature programmed desorption spectrum).

    2. Probing the Reactivity of ZnO and Au/ZnO Nanoparticles by Methanol Adsorption: A TPD and DRIFTS Study (pages 2521–2529)

      Kevin Kähler, Marie Christine Holz, Markus Rohe, Jennifer Strunk and Martin Muhler

      Article first published online: 15 JUL 2010 | DOI: 10.1002/cphc.201000282

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      The adsorption of methanol on pure and Au-decorated ZnO nanoparticles results in two distinguishable methoxy species assigned to ZnO(10-10) and ZnO(000-1) facets, which are thermally converted into two different formate species (see picture). The presence of the Au nanoparticles leads to an enhanced reducibility of ZnO, facilitating the generation of oxygen vacancies.

    3. Asymmetry and Non-Adiabaticity in Fragmentation of Disulfide Bonds upon Electron Capture (pages 2530–2538)

      José A. Gámez, Luis Serrano-Andrés and Manuel Yáñez

      Article first published online: 14 JUL 2010 | DOI: 10.1002/cphc.201000320

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      The breaking point: With high electronegative substituents, the cleavage of disulfide S[BOND]S bonds upon electron capture is not the most favorable process (see picture), contrary to the general assumption.

    4. Multilayer Substrate-Mediated Tuning Resonance of Plasmon and SERS EF of Nanostructured Silver (pages 2539–2545)

      Lian C. T. Shoute

      Article first published online: 3 AUG 2010 | DOI: 10.1002/cphc.201000351

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      A multilayer substrate tunes the extinction spectrum of silver nanostructures. The spectrum arising from the excitations of plasmon resonances vary dramatically with the spacer thickness of the multilayer substrate. The SERS EF of AgIF on multilayer substrates with the optimum spacer thickness can be an order of magnitude more than that of the AgIF on an unlayered glass substrate (see picture).

    5. Pressure-Induced Structural Transition in WO3 Nanowires (pages 2546–2549)

      Jian Chen, Shanghui Chen, Dongyu Lu, Weihong Zhang, Fangyan Xie, Weiguang Xie, Li Gong and Chengxin Wang

      Article first published online: 7 JUL 2010 | DOI: 10.1002/cphc.201000341

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      Pressure-induced structural transition in WO3nanowires is followed by Raman spectroscopic analysis (see picture). Upon increasing the applied pressure, WO3 nanowires undergo four phase transitions at pressures around 1.7, 4.6, 21.5, and 26.2 GPa, which are all less than those reported for bulk WO3. At a pressure of 42.5 GPa, a new high-pressure phase appears, which has never been reported and is not reversible while unloading pressure.

    6. Directional Study of the Optical Properties of Tb3+- and Eu3+-Doped Nanoparticles Embedded in Silica Photonic Crystals (pages 2550–2554)

      Enrico Bovero, Kazuhisa Yano, Tadashi Nakamura, Yuri Yamada and Frank C. J. M. van Veggel

      Article first published online: 26 JUL 2010 | DOI: 10.1002/cphc.201000334

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      Angular modulation of emission lifetime is achieved by exploiting different penetrations of the excitation beam controlled by the effect of the photonic stop band in a silica photonic crystal in which Tb3+ and Eu3+ nanoparticles are embedded (see picture).

    7. Adsorption on Heterogeneous Surfaces: Site Energy Distribution Functions from Fritz–Schlüender Isotherms (pages 2555–2560)

      Kannuchamy Vasanth Kumar, Mateus Carvalho Monteiro de Castro, Manuel Martinez-Escandell, Miguel Molina-Sabio and Francisco Rodriguez-Reinoso

      Article first published online: 2 AUG 2010 | DOI: 10.1002/cphc.201000307

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      Binding sites: A model based on the Fritz–Schlüender isotherm predicts the site energy distribution of heterogeneous surfaces on pitch-based activated carbon with and without boron (PBA and PA, respectively, see figure). A unimodal distribution of binding sites occurs for carbon PA, the binding site energies being distributed exponentially or unimodaly (depending on the pressure) in the case of PBA.

    8. The X1s Method for Accurate Bond Dissociation Energies (pages 2561–2567)

      Jianming Wu, Igor Ying Zhang and Xin Xu

      Article first published online: 28 JUL 2010 | DOI: 10.1002/cphc.201000273

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      Correcting errors: A new spin-change descriptor has been introduced to the previously used X1 method to form the X1s method, which corrects the errors in intrapair correlation and improves dramatically the B3LYP prediction of bond dissociation energies (BDEs). X1s further reduces the mean absolute deviation (MAD) for BDEs (see picture).

    9. Reversible Single Molecular Switch Operating at 300 K on a Surface (pages 2568–2572)

      Mohamed El Garah, Bulent Baris, Vincent Luzet, Frank Palmino and Frédéric Chérioux

      Article first published online: 21 JUL 2010 | DOI: 10.1002/cphc.201000260

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      A single 4-pyridylazobenzene molecule is observed at room temperature on a Si(111)-B surface by using scanning tunnel microscopy (see figure). The reversible conformational switching of this molecule is induced by tunneling electrons and observed at room temperature. This process is based on an intramolecular rotation of a single phenyl group without isomerization of the N[DOUBLE BOND]N double bond.

    10. Nanostructure-Directed Physisorption vs Chemisorption at Semiconductor Interfaces: The Inverse of the HSAB Concept (pages 2573–2581)

      James L. Gole and Serdar Ozdemir

      Article first published online: 20 JUL 2010 | DOI: 10.1002/cphc.201000245

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      The inverse of the hard–soft acid–base concept can be applied for construction of fractional nanostructure deposition to nanopore covered microporous arrays, for directed physisorption (see picture).

    11. Metal-Enhanced Fluorescence of CdTe Nanocrystals in Aqueous Solution (pages 2582–2588)

      Rongqing Li, Shuhong Xu, Chunlei Wang, Haibao Shao, Qinying Xu and Yiping Cui

      Article first published online: 14 JUL 2010 | DOI: 10.1002/cphc.201000239

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      Metal-enhanced fluorescence: The Au-induced increased photoluminescence signal and decreased lifetimes of CdTe NCs are obtained through a very simple operation process. The concentration and the molar feed ratio of CdTe and Au nanoparticles related to the magnitude of enhanced photoluminescence are studied (see figure).

    12. Intertorsional Interactions Revealing Absolute Configurations: The V6 Internal Rotation Heavy-Top Case of Benzotrifluoride (pages 2589–2593)

      Vadim V. Ilyushin, Laura B. Favero, Walther Caminati and Jens-Uwe Grabow

      Article first published online: 2 AUG 2010 | DOI: 10.1002/cphc.201000223

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      Internal affairs: The supersonic-jet rotational spectrum and a dedicated computer program lead to an extremely precise determination of the torsional energy splittings, the V6 internal rotation barrier, and the sign of V6 in benzotrifluoride (see picture).

    13. Photoinduced Electron Transfer in Photorobust Coumarins Linked with Electron Donors Affording Long Lifetimes of Triplet Charge-Separated States (pages 2594–2605)

      Motonobu Murakami, Kei Ohkubo, Takashi Nanjo, Kazunori Souma, Nobuo Suzuki and Shunichi Fukuzumi 

      Article first published online: 2 AUG 2010 | DOI: 10.1002/cphc.201000096

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      Photorobust donor–acceptor system: Photoexcitation of 6-[4′-(N,N-diphenylamino)phenyl]-3-ethoxycarbonylcoumarin (DPA–CM) generates the long-lived triplet charge-separated (CS) state. The quantum yield of formation of the CS state of DPA–CM is increased by the heavy-atom effect of iodobenzene (see picture). The photorobustness of DPA–CM is demonstrated by multiple laser pulse excitation to form the CS state (>1000 times).

    14. First-principles calculation of electronic structure of V-doped anatase TiO2 (pages 2606–2611)

      Run Long and Niall J. English

      Article first published online: 3 AUG 2010 | DOI: 10.1002/cphc.201000329

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      Lattice doping: Substitutionally and interstitially V-doped TiO2 are investigated by first-principles DFT calculations in the framework of the GGA+U approach (see figure). By analyzing the geometrical structure, the formation energies, and the electronic structure it is found that substitutionally doped anatase [V4+ (3d14s0)] is responsible for the experimentally reported visible-light photocatalytic activity.

    15. Ion Interactions with the Carbon Nanotube Surface in Aqueous Solutions: Understanding the Molecular Mechanisms (pages 2612–2616)

      Andrey I. Frolov, Alex G. Rozhin and Maxim V. Fedorov

      Article first published online: 13 JUL 2010 | DOI: 10.1002/cphc.201000231

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      The molecular mechanisms of alkali halide ion interactions with the SWNT surface in water are studied by means of fully atomistic MD simulations (see figure). The basic physical-chemical principles of ion–nanotube interactions in aqueous solutions are investigated and the results compared to recent experimental findings of selective ion effects on carbon nanotubes.

    16. Size-Tunable Micron-Bubbles Based on Fluorous–Fluorous Interactions of Perfluorinated Dendritic Polyglycerols (pages 2617–2622)

      Maximilian Zieringer, Abel Garcia-Bernabé, Burkhard Costisella, Heiko Glatz, Willi Bannwarth and Rainer Haag

      Article first published online: 13 JUL 2010 | DOI: 10.1002/cphc.201000157

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      Dendritic polyglycerols with a perfluorinated shell form air-filled micron-sized bubbles in organic solvents (see figure). This process is reversible. The sizes of these bubbles (1–6 μm) can be tuned by the addition of perfluoro-tagged guest molecules which anchor in the shell of the dendrimers via fluorous–fluorous interactions.

    17. Exploring Reversible Quenching of Fluorescence from a Pyrazolo[3,4-b]quinoline Derivative by Protonation (pages 2623–2629)

      Linping Mu, Zhiqun He, Xiangfei Kong, Guanbao Hui, Min Xu, Chunjun Liang, Xiping Jing, Andrzej Danel and Ewa Kulig

      Article first published online: 2 AUG 2010 | DOI: 10.1002/cphc.201000152

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      Dynamic and static quenching mechanisms are responsible for efficient fluorescence quenching of a pyrazolo[3,4-b]quinoline derivative by protic acid (HCl). The quenching process is reversible: protonation switches off the fluorescence by formation of a non-fluorescent ground-state proton-transfer complex, and neutralisation switches the fluorescence back (see picture).

    18. Rapid Multiphase Flow Dynamics Mapped by Single-Shot MRI Velocimetry (pages 2630–2638)

      Andrea Amar, Bernhard Blümich and Federico Casanova

      Article first published online: 28 JUL 2010 | DOI: 10.1002/cphc.201000062

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      Go with the flow: A magnetic resonance imaging method is used to map flow fields in systems with internal velocities rapidly varying along the streamlines. The technique repeatedly refreshes velocity encoding during a single-shot imaging sequence. The dynamics of toluene droplets levitating in a counterflow of water during mass transfer of acetone from the water to the drop in the presence of surfactant impurities is studied (see picture).

    19. Crystal Chemistry and Physical Properties of the Nonmagnetic Kondo Compound HfAs1.7Se0.2 (pages 2639–2644)

      Andreas Czulucki, Gudrun Auffermann, Michal Bednarski, Łukasz Bochenek, Maik Böhme, Tomasz Cichorek, Rainer Niewa, Niels Oeschler, Marcus Schmidt, Frank Steglich and Rüdiger Kniep

      Article first published online: 14 JUL 2010 | DOI: 10.1002/cphc.201000040

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      A diamagnetic metal which transforms into a superconducting state at 0.52 K, HfAs1.7Se0.2 is grown as single crystals by chemical transport reaction. Crystal structure investigations reveal a tetragonal PbFCl-type structure (see figure) with strong disorder caused by a significant arsenic deficiency (As0.9) on the 2a site and mixed occupancy of the 2c site (As0.8Se0.2). Furthermore, HfAs1.7Se0.2 appears to be a rare example of a nonmagnetic Kondo material.

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    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Minireview
    7. Highlight
    8. Communications
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    10. Preview
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      Preview: ChemPhysChem 13/2010 (page 2651)

      Article first published online: 16 AUG 2010 | DOI: 10.1002/cphc.201090062

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