ChemPhysChem

Cover image for Vol. 10 Issue 17

December 7, 2009

Volume 10, Issue 17

Pages 2905–3127

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. Cover Picture: A New Class of Boron Nanotube (ChemPhysChem 17/2009) (page 2905)

      Jing Wang, Ying Liu and You-Cheng Li

      Version of Record online: 30 NOV 2009 | DOI: 10.1002/cphc.200990071

      Thumbnail image of graphical abstract

      The cover picture illustrates a new class of boron nanotube based on density functional theory calculations. The image in the center shows the structure and the charge density of the new class of boron sheet from which stable nanotubes with various diameters and chiral vectors can be rolled. Clockwise from the top right corner, four typical boron nanotubes along with their charge densities and the partial density of state for the center boron sheet are shown. The two cartoon characters on the left side represent electrons. The nanotube at the bottom left corner behaves like a semiconductor and its structure looks like the concatenation of the cagelike B32. The other boron nanotubes are metallic. On p. 3119, Y. Liu et al. discuss the configurations, stability and electronic structures of this new class of boron sheet and the related boron nanotubes. It indicates the possibility, in the design of nanodevices, to control the electronic transport properties of boron nanotubes through their diameters.

  2. Inside Cover

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. Inside Cover: Hydrogen-Bonding Fingerprints in Electronic States of Two-Dimensional Supramolecular Assemblies (ChemPhysChem 17/2009) (page 2906)

      Nora Gonzalez-Lakunza, Marta E. Cañas-Ventura, Pascal Ruffieux, Ralph Rieger, Klaus Müllen, Roman Fasel and Andrés Arnau

      Version of Record online: 30 NOV 2009 | DOI: 10.1002/cphc.200990072

      Thumbnail image of graphical abstract

      DFT calculations reveal that the molecular orbital energy shifts observed in STS experiments of 2D assemblies with different hydrogen-bonding patterns originate from modifications in the electrostatic potential energy due to bipolar charge redistribution in anisotropic triple hydrogen bonds within heteromolecular systems, as shown by N. Gonzalez-Lakunza et al. on p. 2943.

  3. Graphical Abstract

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

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. You have free access to this content
      Spatiotemporal Kinetics in Solution Studied by Time-Resolved X-Ray Liquidography (Solution Scattering) (page 2915)

      Tae Kyu Kim, Jae Hyuk Lee, Michael Wulff, Qingyu Kong and Hyotcherl Ihee

      Version of Record online: 30 NOV 2009 | DOI: 10.1002/cphc.200990074

      This article corrects:

      Spatiotemporal Kinetics in Solution Studied by Time-Resolved X-Ray Liquidography (Solution Scattering)

      Vol. 10, Issue 12, 1958–1980, Version of Record online: 7 JUL 2009

  5. News

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

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. X-Ray Diffraction as a Local Probe Tool (pages 2923–2930)

      J. Stangl, C. Mocuta, A. Diaz, T. H. Metzger and G. Bauer

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900563

      Thumbnail image of graphical abstract

      Aim and shoot: X-ray diffraction obtains statistically averaged properties over large ensembles. In many cases, however, it is desirable to combine different analysis techniques on exactly the same nano-object, X-ray beams focused to diameters in the sub-micron range allow for such X-ray diffraction studies of individual nano-objects, such as the InAs nanowire in the picture.

  7. Highlight

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. A New Perspective on the Binding Power of an Electron (pages 2931–2934)

      S. D. Hogan and F. Merkt

      Version of Record online: 5 OCT 2009 | DOI: 10.1002/cphc.200900499

      Thumbnail image of graphical abstract

      Stretched out: Long-range Rb2 molecules that cannot be described in terms of conventional binding mechanisms (picture, top) are highlighted. The molecules arise from the scattering of a slow electron in a diffuse Rydberg orbital of high principal quantum number n (picture, bottom) with a ground-state neutral atom. This binding mechanism has been predicted theoretically before its observation.

  8. Communications

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. Size-Dependence of Catalytic Activity of Gold Nanoparticles Loaded on Titanium (IV) Dioxide for Hydrogen Peroxide Decomposition (pages 2935–2938)

      Tomokazu Kiyonaga, Qiliang Jin, Hisayoshi Kobayashi and Hiroaki Tada

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900596

      Thumbnail image of graphical abstract

      Why is an optimum size present? Titanium dioxide-supported gold nanoparticles (Au/TiO2) show catalytic activity for H2O2 decomposition (kobs) with a maximum at the mean size of 4.6 nm (see graph) as a result of the balance of the active site numbers and the Fermi energy of Au NPs. The H2O2–Au/TiO2 system enables the chemoselective oxidation of cinnamyl alcohol to cinnamaldehyde, for which the selectivity parallels kobs.

    2. Where does Hydrogen Adsorb on Ru Nanoparticles? A Powerful Joint 2H MAS-NMR/DFT Approach (pages 2939–2942)

      Lionel A. Truflandier, Iker Del Rosal, Bruno Chaudret, Romuald Poteau and Iann C. Gerber

      Version of Record online: 14 OCT 2009 | DOI: 10.1002/cphc.200900597

      Thumbnail image of graphical abstract

      Two perspectives: DFT calculations of quadrupole coupling constants of hydrides adsorbed on a pristine Ru(0001) surface allow for secure assignments of subspectra obtained from experimental 2H solid-state NMR data (see picture).

    3. Hydrogen-Bonding Fingerprints in Electronic States of Two-Dimensional Supramolecular Assemblies (pages 2943–2946)

      Nora Gonzalez-Lakunza, Marta E. Cañas-Ventura, Pascal Ruffieux, Ralph Rieger, Klaus Müllen, Roman Fasel and Andrés Arnau

      Version of Record online: 14 OCT 2009 | DOI: 10.1002/cphc.200900722

      Thumbnail image of graphical abstract

      Induced charge polarization: Different hydrogen-bonding configurations have a distinct impact on the electronic structure of 2D assemblies, as shown by STS experiments. First-principles DFT calculations reveal that an intramolecular charge polarization induced by anisotropic strong triple hydrogen bonds is at the origin of the observed frontier molecular orbital energy level shifts (see picture).

  9. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. A High Molecular Weight Donor for Electron Injection Interlayers on Metal Electrodes (pages 2947–2954)

      Benjamin Bröker, Ralf-Peter Blum, Luca Beverina, Oliver T. Hofmann, Mauro Sassi, Riccardo Ruffo, Giorgio A. Pagani, Georg Heimel, Antje Vollmer, Johannes Frisch, Jürgen P. Rabe, Egbert Zojer and Norbert Koch

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/cphc.200900472

      Thumbnail image of graphical abstract

      Organic electronic devices: Low work function metal surfaces are obtained with the adsorption of the molecular donor 9,9′-ethane-1,2-diylidene-bis(N-methyl-9,10-dihydroacridine) (NMA). This reduces the electron injection barrier (EIB) for the subsequently deposited electron transport layers (ETLs) and permits continuous tuning of the EIB via pre-coverage of metal electrodes with sub-monolayers of NMA (see figure).

    2. Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation (pages 2955–2965)

      Sílvia Osuna, Marcel Swart, Evert Jan Baerends, F. Matthias Bickelhaupt and Miquel Solà

      Version of Record online: 18 SEP 2009 | DOI: 10.1002/cphc.200900480

      Thumbnail image of graphical abstract

      Dividing the assets: Density functional calculations of homolytic and heterolytic dissociation energies of the diatomic alkalimetal halides MX and their corresponding microsolvated structures MX⋅(H2O)n (n=1 to 4) are presented (see picture for LiF). Our results show that the homolytic dissociation energy of the MX⋅(H2O)n species increases, whereas the corresponding heterolytic dissociation energy decreases with the number of water molecules involved in the microsolvated salts.

    3. Influence of Confined Water on the Photophysics of Dissolved Solutes in Reverse Micelles (pages 2966–2978)

      Ashis Kumar Satpati, Manoj Kumbhakar, Sukhendu Nath and Haridas Pal

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/cphc.200900527

      Thumbnail image of graphical abstract

      The nature of confined water in AOT/hexane/water reverse micelles is investigated at various [H2O]/[AOT] ratios (w0). A distinct change in the microenvironment of the probe that occurs at w0≈7 and is probably related to the formation of water clusters is revealed by breaks in the curves of various photophysical properties of the micelles versus w0 (see picture). AOT=sodium bis(2-ethylhexyl)sulfosuccinate.

    4. Ultrafast Relaxation Dynamics of the Excited States of 1-Amino- and 1-(N,N-Dimethylamino)-fluoren-9-ones (pages 2979–2994)

      Mahendra Varne, Vaishali Samant, Jahur A. Mondal, Sandip K. Nayak, Hirendra N. Ghosh and Dipak K. Palit

      Version of Record online: 9 OCT 2009 | DOI: 10.1002/cphc.200900309

      Thumbnail image of graphical abstract

      Exciting times: The photophysical properties and dynamics of the S1 states of 1-amino- and 1-(N,N-dimethylamino)-fluoren-9-one (1DMAF) are investigated in protic and aprotic solvents by ultrafast time-resolved absorption spectroscopy. Both intra- and intermolecular hydrogen bonding occur. The picture shows the potential energy surface diagram of the relaxation processes taking place in the excited state of 1DMAF.

    5. The Role of Hydrogen-Bonding Interactions in the Ultrafast Relaxation Dynamics of the Excited States of 3- and 4-Aminofluoren-9-ones (pages 2995–3012)

      Jahur A. Mondal, Vaishali Samant, Mahendra Varne, Ajay K. Singh, Tapan K. Ghanty, Hirendra N. Ghosh and Dipak K. Palit

      Version of Record online: 1 OCT 2009 | DOI: 10.1002/cphc.200900325

      Thumbnail image of graphical abstract

      Brief encounters: The photophysical properties and relaxation dynamics of the excited states of 3- and 4-aminofluoren-9-one (4AF) in aprotic and protic solvents are studied by subpicosecond time-resolved differential transient absorption spectroscopy. The dynamics of the hydrogen-bonded complex in the excited state of 4AF (in methanol, see picture) are revealed, and a bimodal hydrogen-bond reorganization process is suggested.

    6. Theoretical Investigation on the Effect of Different Nitrogen Donors on Intramolecular Se⋅⋅⋅N Interactions (pages 3013–3020)

      Bani Kanta Sarma and Govindasamy Mugesh

      Version of Record online: 21 OCT 2009 | DOI: 10.1002/cphc.200900332

      Thumbnail image of graphical abstract

      Electrostatic and covalent contributions are important for stabilization of intramolecular Se⋅⋅⋅N interactions (see figure). A theoretical study shows that the strength of Se⋅⋅⋅N interactions is predominantly determined by the distance between the Se and the N atoms, and that the nature of the donor N atoms has very little effect on it.

    7. Polarized Infrared Spectra of the H(D) Bond in 2-Thiophenic Acid Crystals: A Spectroscopic and Computational Study (pages 3021–3033)

      Najeh Rekik, Houcine Ghalla, Henryk T. Flakus, Magdalena Jabłońska, Paul Blaise and Brahim Oujia

      Version of Record online: 14 OCT 2009 | DOI: 10.1002/cphc.200900376

      Thumbnail image of graphical abstract

      Taking shape: Experimental IR line shapes of H- and D-bonded crystalline 2-thiophenic acid (2TPA) centrosymmetric dimers are predicted for different temperatures and polarizations (see picture). Interactions between high- and low-frequency vibrations, Davydov coupling, anharmonicity, Fermi resonances, and direct and indirect relaxation are taken into account.

    8. Different Catalytic Effects of a Single Water Molecule: The Gas-Phase Reaction of Formic Acid with Hydroxyl Radical in Water Vapor (pages 3034–3045)

      Josep M. Anglada and Javier Gonzalez

      Version of Record online: 14 OCT 2009 | DOI: 10.1002/cphc.200900387

      Thumbnail image of graphical abstract

      Every drop counts: The hydroxyl radical extracts the acidic hydrogen of formic acid in the gas phase (diagram, left), but the participation of a single water molecule produces the extraction of the formyl hydrogen (diagram, right).

    9. UV Polymerisation of Surfactants Adsorbed at the Nematic Liquid Crystal–Water Interface Produces an Optical Response (pages 3046–3053)

      Paul D. I. Fletcher, Nae-Gyu Kang and Vesselin N. Paunov

      Version of Record online: 24 SEP 2009 | DOI: 10.1002/cphc.200900405

      Thumbnail image of graphical abstract

      UV polymerisation of surfactants with sufficiently long hydrophobic tail groups adsorbed at the nematic liquid crystal–water interface produces a transition from planar to homeotropic anchoring. These systems can be used to “write with light” in the interfaces and they form the basis of a UV sensor device in which the optical response is visible to the naked eye.

    10. On the ν1math image/2 ν2math image Resonance in the Complex of Carbon Dioxide with Dimethyl Ether (pages 3054–3060)

      Wouter A. Herrebout, Nick Nagels and Benjamin J. van der Veken

      Version of Record online: 30 SEP 2009 | DOI: 10.1002/cphc.200900414

      Thumbnail image of graphical abstract

      Molecular vibrations and interactions: The Fermi triplet resonance of a CO2–dimethyl ether complex is investigated by Raman spectroscopy (see figure upper trace: complex, lower trace: CO2 only). The identification of the Fermi triplet is obtained for isotopic variants of the heterogeneous complex. The theoretical treatment reveals the Fermi resonance as well as a Darling-Dennison resonance.

    11. Energy Transport along Conjugated Polymer Chains with Extended Radiative Lifetimes: A Theoretical Study (pages 3061–3068)

      Bernard Van Averbeke and David Beljonne

      Version of Record online: 20 OCT 2009 | DOI: 10.1002/cphc.200900432

      Thumbnail image of graphical abstract

      Improved exciton diffusion length is a key issue in optimizing many opto-electronic devices based on conjugated polymers. On the basis of quantum-chemical calculations, a strategy consisting of extending the radiative lifetime of energy carriers through incorporation along the polymer backbone of repeating units with forbidden optical transition is explored (see figure).

    12. FT Raman and DFT Study on a Series of All-anti Oligothienoacenes End-Capped with Triisopropylsilyl Groups (pages 3069–3076)

      Reyes Malavé Osuna, Víctor Hernández, Juan T. López Navarrete, Juan Aragó, Pedro M. Viruela, Enrique Ortí, Yoshitake Suzuki, Shigehiro Yamaguchi, John T. Henssler and Adam J. Matzger

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/cphc.200900440

      Thumbnail image of graphical abstract

      Selective enhancement of a very limited number of Raman scatterings in a homologous series of all-anti oligothienoacenes containing four to eight fused thiophene rings is related to the occurrence of strong vibronic coupling between collective ν(C[DOUBLE BOND]C) stretching modes in the 1600–1300 cm−1 region and the frontier molecular orbitals (see picture).

    13. Dual-Function Multilayers for the Photodelivery of Nitric Oxide and Singlet Oxygen (pages 3077–3082)

      Gabriele Giancane, Ludovico Valli and Salvatore Sortino

      Version of Record online: 8 OCT 2009 | DOI: 10.1002/cphc.200900451

      Thumbnail image of graphical abstract

      Bichromophoric multilayer films on quartz slides prepared by Langmuir–Schafer deposition enable the simultaneous delivery of nitric oxide and singlet oxygen under the exclusive control of visible light stimuli (see figure).

    14. Structural Features of Interacting Complementary Liposomes Promoting Formation of Multicompartment Structures (pages 3083–3089)

      Zili Sideratou, Nikoletta Sterioti, Dimitris Tsiourvas and Constantinos M. Paleos

      Version of Record online: 14 OCT 2009 | DOI: 10.1002/cphc.200900465

      Thumbnail image of graphical abstract

      Large and well-formed multicompartment systems (see optical micrographs) are generated by molecular recognition between PEGylated unilamellar liposomes with guanidinium moieties located at the distal end of polyethylene glycol (PEG) chains and complementary multilamellar liposomes bearing phosphate moieties.

    15. Electrochemical Behaviour of Iron in a Third-Generation Ionic Liquid: Cyclic Voltammetry and Micromachining Investigations (pages 3090–3096)

      Essam M. Moustafa, Olivier Mann, Wolfram Fürbeth and Rolf Schuster

      Version of Record online: 16 SEP 2009 | DOI: 10.1002/cphc.200900507

      Thumbnail image of graphical abstract

      Electrochemical micromachining of iron: Upon application of nanosecond voltage pulses to a tool electrode in a third generation, Cl-containing ionic liquid, micrometer-sized holes are drilled into iron. Cyclic voltammograms signal a complicated pathway for the dissolution of iron in the ionic liquid, possibly via the formation of weakly soluble surface compounds.

    16. Intrinsic Neutral and Anionic Structures of Glutathione (pages 3097–3100)

      Yeon Jae Ko, Haopeng Wang, Xiang Li, Kit. H. Bowen, Frédéric Lecomte, Charles Desfrançois, Jean-Christophe Poully, Gilles Grégoire and Jean Pierre Schermann

      Version of Record online: 5 OCT 2009 | DOI: 10.1002/cphc.200900537

      Thumbnail image of graphical abstract

      Unfolding complexity: The gas-phase lowest-energy structures of neutral and anionic glutathione are canonical and folded (picture, left). In aqueous solution, they become zwitterionic and remain folded with a thiol–cysteine amide interaction (middle). When glutathione is bound in active pockets of enzymes, it unfolds and frees the thiol group (right).

    17. Tin Oxide Thin Film with Three-Dimensional Ordered Reticular Morphology as a Lithium Ion Battery Anode (pages 3101–3104)

      Xianjun Zhu, Zaiping Guo, Peng Zhang, Guodong Du, Rong Zeng, Zhixin Chen and Huakun Liu

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/cphc.200900546

      Thumbnail image of graphical abstract

      Charging extra: Three-dimensional reticular SnO2 thin films (see picture) deposited on copper and stainless steel substrates were prepared by the electrostatic spray deposition (ESD) technique. The 3D reticular SnO2 film exhibit a high reversible capacity near 300 mAh g−1 up to the 50th cycle.

    18. High-Quality Covalently Grafting Hemoglobin on Gold Electrodes: Characterization, Redox Thermodynamics and Bio-electrocatalysis (pages 3105–3111)

      Yuan Tian, Qin Ran, Jingjing Xu, Yuezhong Xian, Ru Peng and Litong Jin

      Version of Record online: 15 OCT 2009 | DOI: 10.1002/cphc.200900588

      Thumbnail image of graphical abstract

      A biosensensor: A versatile surface chemistry methodology is introduced to covalently immobilize ligands and proteins (see picture). The general strategy can provide an excellent biocompatibility interface and opens the door to design biosensing devices.

    19. Recombination of Photogenerated Lophyl Radicals in Imidazolium-Based Ionic Liquids (pages 3112–3118)

      Veronika Strehmel, James F. Wishart, Dmitry E. Polyansky and Bernd Strehmel

      Version of Record online: 20 OCT 2009 | DOI: 10.1002/cphc.200900594

      Thumbnail image of graphical abstract

      Lophyl radical recombination: Recombination of photolytic generated lophyl radicals occurs significantly faster in ionic liquids in comparison with DMSO caused by the stronger solvent cage in the case of ionic liquids (see figure).

    20. A New Class of Boron Nanotube (pages 3119–3121)

      Jing Wang, Ying Liu and You-Cheng Li

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/cphc.200900632

      Thumbnail image of graphical abstract

      Boron is the new carbon: A new class of boron sheet and boron nanotube (see picture) is predicted based on ab initio calculations. After relaxation the boron sheet remains flat and metallic. The nanotubes rolled from it are metals, except for the (8, 0) thin tube. These predicted structures may be good candidates for synthesis.

  10. Preview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Highlight
    9. Communications
    10. Articles
    11. Preview
    1. You have free access to this content
      Preview: ChemPhysChem 18/2009 (page 3127)

      Version of Record online: 30 NOV 2009 | DOI: 10.1002/cphc.200990076

SEARCH

SEARCH BY CITATION