ChemPhysChem

Cover image for Vol. 10 Issue 8

June 2, 2009

Volume 10, Issue 8

Pages 1149–1319

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. Cover Picture: Tuning the Rates of Long-Range Charge Transfer across Phenylene Wires (ChemPhysChem 8/2009) (page 1149)

      Mathieu E. Walther and Oliver S. Wenger

      Version of Record online: 26 MAY 2009 | DOI: 10.1002/cphc.200990028

      Thumbnail image of graphical abstract

      The central part of the cover picture shows that the rates for long-range charge transfer across covalent phenylene bridges can be very sensitive to the chemical substituents attached to the individual bridging units. The peripheral parts of the picture illustrate the flash–quench technique employed to investigate intramolecular charge transfer between a phenothiazine donor and a photochemically generated ruthenium(III) complex. On page 1203, M. E. Walther and O. S. Wenger explain their experimental findings in terms of donor-bridge energy matching for hole transfer.

  2. Inside Cover

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. Inside Cover: Absorption Spectra of 4-Nitrophenolate Ions Measured in Vacuo and in Solution (ChemPhysChem 8/2009) (page 1150)

      Maj-Britt Suhr Kirketerp, Michael Åxman Petersen, Marius Wanko, Leonardo Andres Espinosa Leal, Henning Zettergren, Françisco M. Raymo, Angel Rubio, Mogens Brøndsted Nielsen and Steen Brøndsted Nielsen

      Version of Record online: 26 MAY 2009 | DOI: 10.1002/cphc.200990029

      Thumbnail image of graphical abstract

      The inside cover picture shows gas-phase absorption spectra of four p-nitrophenolates. The ions cover the entire visible spectrum when isolated in vacuo and are located within a narrower region in solution. On p. 1207 A. Rubio, M. Brøndsted Nielsen, S. Brøndsted Nielsen et al. use the gas-phase absorption maxima to benchmark excitation energy calculations (blue lines).

  3. Graphical Abstract

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

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. You have free access to this content
      ONIOM Study of Isomerization Reactions of Aromatic Hydrocarbons in Acidic Mordenite Zeolite (page 1158)

      Jing Yang

      Version of Record online: 26 MAY 2009 | DOI: 10.1002/cphc.200990031

      This article corrects:

      ONIOM Study of Isomerization Reactions of Aromatic Hydrocarbons in Acidic Mordenite Zeolite1

      Vol. 10, Issue 6, 946–953, Version of Record online: 19 FEB 2009

  5. News

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

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. Physical Properties of Elongated Magnetic Particles: Magnetization and Friction Coefficient Anisotropies (pages 1165–1179)

      Fernando Vereda, Juan de Vicente and Roque Hidalgo-Álvarez

      Version of Record online: 11 MAY 2009 | DOI: 10.1002/cphc.200900091

      Thumbnail image of graphical abstract

      Anisotropy counts: A brief review of the main physical properties of elongated magnetic particles (EMPs) is presented. The most important characteristic of an EMP is the additional contribution of shape anisotropy to the total anisotropy energy of the particle, when compared to spherical magnetic particles. The electron micrograph shows Ni-ferrite microrods fabricated by the authors.

  7. Communications

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. What Far-Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations (pages 1181–1186)

      Thorsten Köddermann, Koichi Fumino, Ralf Ludwig, José N. Canongia Lopes and Agílio A. H. Pádua

      Version of Record online: 5 MAY 2009 | DOI: 10.1002/cphc.200900144

      Thumbnail image of graphical abstract

      Symbiosis: Far-infrared spectra can be used to check the quality of force fields for molecular dynamics simulations of ionic liquids. On the other hand, MD simulations can explain the molecular basis of measured properties for this new liquid material (see picture).

    2. Dynamic and Structural Properties of Aqueous Arsenic Solutions (pages 1187–1189)

      Orkid Coskuner and Thomas C. Allison

      Version of Record online: 23 MAR 2009 | DOI: 10.1002/cphc.200800650

      Thumbnail image of graphical abstract

      Aqueous arsenic solutions are important in geochemistry, environmental chemistry, and biochemistry. Thus, studies of arsenic solutions that probe the structure of the hydrated arsenic ion and the behavior of water around As ions have wide-ranging implications. The mechanisms for water dissociation around three arsenic ions (see picture) and structural details of the resulting aqueous complexes are presented.

    3. Aqueous Networks and Toroids of Amphiphilic Block Copolymer with Non-ionic Surfactants (pages 1190–1194)

      Jun Fu, Dong Ha Kim and Wolfgang Knoll

      Version of Record online: 30 MAR 2009 | DOI: 10.1002/cphc.200900081

      Thumbnail image of graphical abstract

      Network formation: Comicellization of polystyrene-block-polyethylene oxide (PS–PEO) with non-ionic surfactants leads to the formation of networks and chains of spheres. The aqueous network solutions are responsive to dilution, undergoing morphological transformations to cylinders with Y junctions and both two- and three-dimensional toroids (see figure).

    4. Single-Molecule Electroluminescence of a Phosphorescent Organometallic Complex (pages 1195–1198)

      Yasuhiro Sekiguchi, Satoshi Habuchi and Martin Vacha

      Version of Record online: 9 APR 2009 | DOI: 10.1002/cphc.200900082

      Thumbnail image of graphical abstract

      Lighting one by one: The electroluminescence (EL) from single molecules of a red phosphorescent iridium complex dispersed in a hole-transporting polymer matrix is studied. The single-molecule EL dynamics is determined by local structural inhomogeneities in the matrix polymer (see picture).

    5. Circular Dichroism in Ion Yields of Femtosecond-Laser Mass Spectrometry (pages 1199–1202)

      H. Georg Breunig, Gunter Urbasch, Philipp Horsch, Jens Cordes, Ulrich Koert and Karl-Michael Weitzel

      Version of Record online: 7 APR 2009 | DOI: 10.1002/cphc.200900103

      Thumbnail image of graphical abstract

      Telling the difference quickly: Femtosecond laser pulses are not only suitable to distinguish structural isomers. They also provide access to the distinction of enantiomers by combination of circular dichroism and mass spectrometry (see picture).

    6. Tuning the Rates of Long-Range Charge Transfer across Phenylene Wires (pages 1203–1206)

      Mathieu E. Walther and Oliver S. Wenger

      Version of Record online: 26 MAR 2009 | DOI: 10.1002/cphc.200900163

      Thumbnail image of graphical abstract

      Walking a tight wire: Phototriggered charge transfer across a tetra-p-dimethoxybenzene bridge is three orders of magnitude faster than that across a structurally similar tetra-p-xylene spacer, despite equal reaction driving forces in both cases (see picture). This result is interpreted in terms of markedly different donor–bridge energy gaps.

    7. Absorption Spectra of 4-Nitrophenolate Ions Measured in Vacuo and in Solution (pages 1207–1209)

      Maj-Britt Suhr Kirketerp, Michael Åxman Petersen, Marius Wanko, Leonardo Andres Espinosa Leal, Henning Zettergren, Françisco M. Raymo, Angel Rubio, Mogens Brøndsted Nielsen and Steen Brøndsted Nielsen

      Version of Record online: 2 APR 2009 | DOI: 10.1002/cphc.200900174

      Thumbnail image of graphical abstract

      From blue to red: While four π-conjugated nitrophenolates absorb within a relatively narrow region in solution, they cover the entire visible spectrum when isolated in vacuo (see picture). The work combines gas- and solution-phase spectroscopy and provides the first benchmark of theoretical excitation energies for nitrophenolates.

  8. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. Miscibility and Alignment Effects of Mixed Monolayer Cyanobiphenyl Liquid-Crystal-Capped Gold Nanoparticles in Nematic Cyanobiphenyl Liquid Crystal Hosts (pages 1211–1218)

      Hao Qi, Brandy Kinkead, Vanessa M. Marx, Huai R. Zhang and Torsten Hegmann

      Version of Record online: 30 MAR 2009 | DOI: 10.1002/cphc.200800765

      Thumbnail image of graphical abstract

      Against the rule: Liquid crystal hosts (5CB and 8CB) are doped with different thiol decorated gold nanoparticles (see figure). The “simple” hexanethiol and dodecanethiol capped nanoparticles (Au1 and Au2) are more compatible to the nematic cyanobiphenyl liquid crystals than nanoparticles capped simultaneously with alkylthiols and a nematic cyanobiphenyl thiol (Au3 and Au4).

    2. You have free access to this content
      Selectively Deposited Silver Coatings on Gold-Capped Silicon Nanowires for Surface-Enhanced Raman Spectroscopy (pages 1219–1224)

      M. Becker, Th. Stelzner, A. Steinbrück, A. Berger, J. Liu , D. Lerose, U. Gösele and S. Christiansen

      Version of Record online: 27 APR 2009 | DOI: 10.1002/cphc.200800809

      Thumbnail image of graphical abstract

      Gold caps on silicon nanowires are selectively coated with silver by autometallography (electroless deposition). Changing the conditions of silver deposition, a variety of different coating morphologies can be produced (see figure). The different silver coating morphologies are investigated in terms of their capabilities for surface enhanced Raman scattering (SERS) experiments.

    3. Photoinduced Nonadiabatic Dynamics of 9H-Guanine (pages 1225–1229)

      Zhenggang Lan, Eduardo Fabiano and Walter Thiel

      Version of Record online: 24 APR 2009 | DOI: 10.1002/cphc.200900030

      Thumbnail image of graphical abstract

      Surface-hopping simulations are used to study the nonradiative relaxation of 9H-guanine. Two distinct S1[RIGHTWARDS ARROW]S0 (ππ*[RIGHTWARDS ARROW]gs) decay channels, both of which pass through a conical intersection (CI), are found to be responsible for the experimentally observed double-decay behavior (see schematic diagram).

    4. Activity–Structure Correlation of Pt/Ru Catalysts for the Electrodecomposition of Methanol: The Importance of RuO2 and PtRu Alloying (pages 1230–1237)

      Yu-Chen Wei, Chen-Wei Liu and Kuan-Wen Wang

      Version of Record online: 24 APR 2009 | DOI: 10.1002/cphc.200800685

      Thumbnail image of graphical abstract

      Bimetallic catalysts: The effect of PtRu alloying and the influence of RuO2 species on the methanol oxidation activity of PtRu/C catalysts is studied. Different heat treatments—utilizing either N2 or air—are applied to the bimetallic materials to enhance the degree of alloying or produce RuO2 (see picture). The catalysts with the best performance are characterized by a small particle size, a high degree of PtRu alloying, and the presence of a Pt-related species on their surface.

    5. EXAFS Study of Dopant Ions with Different Charges in Nanocrystalline Anatase: Evidence for Space–Charge Segregation of Acceptor Ions (pages 1238–1246)

      Philippe Knauth, Alan V. Chadwick, Pierre E. Lippens and Gerhard Auer

      Version of Record online: 7 MAY 2009 | DOI: 10.1002/cphc.200800806

      Thumbnail image of graphical abstract

      Nanocrystalline TiO2 (anatase) is an essential oxide for environment and energy applications. A combination of EXAFS spectroscopy and DFT calculations on a series of dopants with quite similar ion radius, but increasing ion charge, show boundary space charge segregation of acceptor cations. The picture illustrates the Fourier-transformed EXAFS spectrum for Sn4+-doped TiO2.

    6. Spin–Spin Coupling Constants Transmitted through Ir[BOND]H⋅⋅⋅H[BOND]N Dihydrogen Bonds (pages 1247–1259)

      Malgorzata Olejniczak and Magdalena Pecul

      Version of Record online: 5 MAY 2009 | DOI: 10.1002/cphc.200800817

      Thumbnail image of graphical abstract

      Relativity matters: Calculations of NMR shielding tensors and spin–spin coupling constants transmitted through Ir[BOND]H⋅⋅⋅H[BOND]N dihydrogen bonds are presented. The picture shows one of the simplified models employed. It is shown that the spin–orbit relativistic effects influence the NMR shielding constants far more than the spin–spin coupling constants.

    7. Adsorption of Insulin Peptide on Charged Single-Walled Carbon Nanotubes: Significant Role of Ordered Water Molecules (pages 1260–1269)

      Jia-Wei Shen, Tao Wu, Qi Wang, Yu Kang and Xin Chen

      Version of Record online: 7 APR 2009 | DOI: 10.1002/cphc.200800836

      Thumbnail image of graphical abstract

      Ordered hydration shells: The more ordered hydration shells outside the charged CNT surfaces prevent more compact adsorption of the peptide in the charged CNT systems (see picture), but peptide binding strengths on the charged CNT surfaces are stronger due to the electrostatic interaction.

    8. Metal-Insulator Transition-Induced Adsorption-Resistant Behavior of Small Au Nanoparticles (pages 1270–1273)

      Hyo-Sang Kim, Sun-Young Shin, Sanghoon Uhm, Jin-Hee Han, Han-Na Hwang, Bongsoo Kim, Jinwook Chung, Young D. Kim and Chan-Cuk Hwang

      Version of Record online: 26 MAR 2009 | DOI: 10.1002/cphc.200900001

      Thumbnail image of graphical abstract

      Smaller nonmetallic nanoparticles are more inert: Metal–insulator transition of Au nanoparticles on silica is closely related to the metal–support charge transfer, which has a strong influence on chemisorption reactivity of Au. Smaller nonmetallic Au nanoparticles are more resistant towards butanethiol chemisorption (see picture and graph).

    9. Combined Online Spectroscopic, Calorimetric, and Chemometric Analysis: Reaction Enthalpy Determinations in Single and Parallel Reactions (pages 1274–1283)

      Martin Tjahjono, Effendi Widjaja and Marc Garland

      Version of Record online: 9 APR 2009 | DOI: 10.1002/cphc.200900049

      Thumbnail image of graphical abstract

      Calorimetry and signal processing: Vibrational spectroscopies, heat-flow microcalorimetry, and multivariate analysis are combined to decouple the reaction enthalpies of parallel reactions (see picture). This methodology allows the evaluation of reaction enthalpy from complex systems without recourse to conventional kinetic modeling.

    10. Raman Spectra of Poly(p-phenylenevinylene)s with Fluorinated Vinylene Units: Evidence of Inter-ring Distortion (pages 1284–1290)

      Manuel Piacenza, Davide Comoretto, Martin Burger, Valentina Morandi, Franco Marabelli, Carmella Martinelli, Gianluca M. Farinola, Antonio Cardone, Giuseppe Gigli and Fabio Della Sala

      Version of Record online: 29 APR 2009 | DOI: 10.1002/cphc.200900041

      Thumbnail image of graphical abstract

      Ring the changes: Experimental Raman spectra of fluorinated and non-fluorinated polyphenylenevinylenes are assigned according to quantum chemical calculations for oligomer model systems (see picture). Characteristic differences in the spectra can be traced back to strong inter-ring distortion of the fluorinated compounds.

    11. Anomalous Odd–Even Effects in Columnar and Smectic Phases of Discotic Tetraphenylenes (pages 1291–1298)

      Constanze Hägele, Eugen Wuckert, Sabine Laschat and Frank Giesselmann

      Version of Record online: 30 APR 2009 | DOI: 10.1002/cphc.200900090

      Thumbnail image of graphical abstract

      Rather uncommon but pronounced odd–even effects in the clearing temperatures of liquid crystals are found for three new homologous series of discotic tetraphenylenes (see figure). Detailed similarities to the well-known odd-even effects in calmitic mesogens point towards a more general understanding of odd-even effects in liquid crystals.

    12. Ultrafast Dynamics of o-Bromofluorobenzene Studied by Time-Resolved Photoelectron Imaging (pages 1299–1304)

      Zhen-Zhou Cao, Zheng-Rong Wei, Lin-Qiang Hua, Chang-Jin Hu, Song Zhang and Bing Zhang

      Version of Record online: 2 APR 2009 | DOI: 10.1002/cphc.200900096

      Thumbnail image of graphical abstract

      Photodissociation dynamics and rotational wave packet coherences of o-bromofluorobenzene are studied by femtosecond time-resolved photoelectron imaging (see figure). The decay of different photoelectron rings shows the population decay of states from which the lifetimes of different states are determined. The variation of photoelectron angular distributions reflects the evolution of rotational coherences.

    13. Near-Infrared Emission Quantum Yield of Soluble Short Single-Walled Carbon Nanotubes (pages 1305–1310)

      Carmela Aprile, Roberto Martín, Mercedes Alvaro, Juan C. Scaiano and Hermenegildo Garcia

      Version of Record online: 22 APR 2009 | DOI: 10.1002/cphc.200900106

      Thumbnail image of graphical abstract

      Soluble short single-walled carbon nanotubes in aerated D2O emit in the near-infrared (NIR) region (see picture) with a quantum yield of (3.9±0.5) ×10−3 and a half-life of 7.65 μs. This emission is quenched by electron- acceptor molecules.

  9. Conference Report

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. The 59th Annual Meeting of the International Society of Electrochemistry in Seville (pages 1311–1313)

      Helmut Baltruschat

      Version of Record online: 11 MAY 2009 | DOI: 10.1002/cphc.200900187

      Thumbnail image of graphical abstract

      Electrochemistry down to the molecular level was the main theme of the 59th annual meeting of the International Society of Electrochemistry (ISE, see logo). Around 1400 scientists from all over the world met in Seville to discuss modern aspects, progress in methods and new mechanistic insights.

  10. Preview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Minireview
    8. Communications
    9. Articles
    10. Conference Report
    11. Preview
    1. Preview: ChemPhysChem 9-10/2009 (page 1319)

      Version of Record online: 26 MAY 2009 | DOI: 10.1002/cphc.200990033

SEARCH

SEARCH BY CITATION