ChemPhysChem

Cover image for Vol. 9 Issue 1

January 11, 2008

Volume 9, Issue 1

Pages 1–186

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
    10. Preview
    1. Cover Picture: Dynamics of Electrons in Ammonia Cages: The Discovery System of Solvation (ChemPhysChem 1/2008) (page 1)

      I-Ren Lee, Wonchul Lee and Ahmed H. Zewail

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200890000

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      The cover picture shows three great scientists of yesteryear: Étienne-Louis Malus, John Dalton and Sir Humphry Davy, whose lives and scientific contributions made over 200 years ago are highlighted in this special issue of ChemPhysChem. The fields explored 200 years ago still invoke active interest today as illustrated by contributions from Ahmed Zewail (see p. 83–88 for his work on solvated electrons) and John Hall and Theodor Hänsch (see ChemPhysChem2006, 11, 2242 and ChemPhysChem2006, 6, 1170 for their work on optical frequency combs).

  2. Editorial

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
    10. Preview
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      Editorial: Celebrating Physical Chemistry (pages 3–5)

      Evelyn Wessel, Melanie de Soza and Peter Gölitz

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200700744

  3. Graphical Abstract

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
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    1. Graphical Abstract: ChemPhysChem 1/2008 (pages 6–11)

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200890003

  4. News

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

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
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    1. Self-Assembling Nanoparticles at Surfaces and Interfaces (pages 20–42)

      Sachin Kinge, Mercedes Crego-Calama and David N. Reinhoudt

      Article first published online: 13 DEC 2007 | DOI: 10.1002/cphc.200700475

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      Assembling nanoparticles generates new nanostructures (see figure), which have unforeseen collective, intrinsic physical properties. These properties can be exploited for multipurpose applications in nanoelectronics, spintronics, and sensors.

  6. Essays

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
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    1. The Lives of Malus and His Bicentennial Law (pages 43–58)

      Bart Kahr and Kacey Claborn

      Article first published online: 6 AUG 2007 | DOI: 10.1002/cphc.200700173

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      Étienne-Louis Malus (see picture) serendipitously discovered the polarization of light by reflection nearly 200 years ago. The conditions of the re-creation of his benchmark experiment are analyzed. Malus' biography is arranged around the diary he kept in Egypt as an engineer in Bonaparte's army. His experiences in war are sadly relevant. The legacies of Malus are considered, including the continued reexamination of the indispensable law that bears his name.

    2. Sir Humphry Davy: Boundless Chemist, Physicist, Poet and Man of Action (pages 59–66)

      Sir John Meurig Thomas, Peter P. Edwards and Vladimir L. Kuznetsov

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200700686

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      A life of dazzling accomplishments: The years 2007 and 2008 mark the bicentenary of two important discoveries by Sir Humphry Davy (see picture): the isolation of sodium and potassium and the first observation of the blue and bronze colours now known to be characteristic of the solvated electron in potassium–ammonia systems. In celebration of these discoveries, the authors reflect on Davy′s many contributions to science, technology and poetry.

  7. Communications

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
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    1. Structural Correlations and Charge Ordering in a Room-Temperature Ionic Liquid (pages 67–70)

      B. Lokegowda Bhargava, Michael L. Klein and Sundaram Balasubramanian

      Article first published online: 20 DEC 2007 | DOI: 10.1002/cphc.200700666

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      Molecular dynamics simulations of a room-temperature ionic liquid show evidence of charge ordering (see figure). The intermolecular structure is investigated by calculating the neutron- and X-ray-weighted structure factors.

    2. Active Intramolecular Conformational Dynamics Controlling the Assembly of Azobenzene Derivatives at Surfaces (pages 71–73)

      Nils Henningsen, Katharina J. Franke, Gunnar Schulze, Isabel Fernández-Torrente, Beate Priewisch, Karola Rück-Braun and Jose Ignacio Pascual

      Article first published online: 20 DEC 2007 | DOI: 10.1002/cphc.200700678

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      Change of shape: Low-temperature scanning tunneling microscopy measurements show that intramolecular dynamics is an active pathway for molecular recognition. The shape of azobenzene rotamers on the surface changes through intramolecular rotation with increasing temperature and coverage, thus giving rise to the formation of ordered domains with very different structures (see picture).

    3. Self-Assembly of Unprecedented Swollen Multilamellar Twisted Ribbons from a Racemic Hydroxy Fatty Acid (pages 74–77)

      Jean-Paul Douliez, Laurence Navailles, Frédéric Nallet and Cédric Gaillard

      Article first published online: 20 DEC 2007 | DOI: 10.1002/cphc.200700682

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      Do the twist: Twisted ribbons are formed by the hexanolamine salt of a racemic mixture of 12-hydroxystearic acid (structure in figure) in aqueous solution upon aging at room or colder temperature. Tubes unfold to produce right- and left-twisted ribbons, which consist of three bilayers of fatty acid membrane each separated by a thick layer of water (see image).

    4. Higher Gas Solubility in Nanoliquids? (pages 78–82)

      Sylvain Miachon, Victor V. Syakaev, Aydar Rakhmatullin, Marc Pera-Titus, Stefano Caldarelli and Jean-Alain Dalmon

      Article first published online: 6 DEC 2007 | DOI: 10.1002/cphc.200700638

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      Beyond Henry's law: In nanometer-confining media, gas solubility increases widely (see figure). H2, CH4 and C2H6 solubility values in two solvents are obtained by quantitative 1H NMR spectroscopy. A mass-balance model involving the gas–liquid interface zone agrees well with the observed variation.

  8. Articles

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
    10. Preview
    1. Dynamics of Electrons in Ammonia Cages: The Discovery System of Solvation (pages 83–88)

      I-Ren Lee, Wonchul Lee and Ahmed H. Zewail

      Article first published online: 23 NOV 2007 | DOI: 10.1002/cphc.200700562

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      The dynamics of solvated electrons in ammonia cages, the two-century old discovery system of solvation, is reported. With femtosecond resolution, mass selection, and photoelectron detection, the relaxation of the cage and its coherent dynamics are captured, and the findings are related to the behavior in bulk solutions.

    2. Visualizing the Frontier Orbitals of a Conformationally Adapted Metalloporphyrin (pages 89–94)

      Alexander Weber-Bargioni, Willi Auwärter, Florian Klappenberger, Joachim Reichert, Simon Lefrançois, Thomas Strunskus, Christof Wöll, Agustin Schiffrin, Yan Pennec and Johannes V. Barth

      Article first published online: 13 DEC 2007 | DOI: 10.1002/cphc.200700600

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      Scanning tunneling microscopy and near-edge X-ray-absorption fine structure observations show that CoII tetraphenylporphyrin molecules adsorbed on Cu(111) adopt a distorted saddle-shaped geometry. Scanning tunneling spectroscopy allowed the shape and symmetry of single frontier molecular orbitals to be identified and correlated with the intramolecular structure of the porphyrin (see picture).

    3. A Crossed Molecular Beam Study on the Reaction of Boron Atoms with Methylacetylene and Partially Deuterated Methylacetylene (pages 95–105)

      Fangtong Zhang, Chih Hao Kao, Agnes H. H. Chang, Xibin Gu, Ying Guo and Ralf I. Kaiser

      Article first published online: 20 DEC 2007 | DOI: 10.1002/cphc.200700502

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      Reaction dynamics of boron: The reactions of ground-state boron atoms, B(2Pj), shown in yellow in the figure with methylacetylene, CH3CCH(X1A1), and its [D3]-substituted isotopomer are studied under single collision conditions using the crossed molecular beam technique.

    4. Dalton’s Disputed Nitric Oxide Experiments and the Origins of his Atomic Theory (pages 106–110)

      Melvyn C. Usselman, Derek G. Leaist and Katherine D. Watson

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200700707

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      Dalton′s discovery: The experiments that led to Dalton's discovery of multiple combining proportions are judged by some to be irreproducible. A successful replication and analysis exonerates Dalton but suggests atomistic preconceptions shaped his experimental protocol to deliver the desired result.

    5. Two-Photon Absorption Cross-Sections of Reference Dyes: A Critical Examination (pages 111–116)

      Prakash Chandra Jha, Yanhua Wang and Hans Ågren

      Article first published online: 10 DEC 2007 | DOI: 10.1002/cphc.200700397

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      Absolute references: The experimental discrepancies of common reference fluorophores (see figure) used for nonlinear spectroscopy measurements, are explored using time-dependent density functional theory. A comparison of published two-photon cross-sections and spectra, highlights the need for care while comparing measurements carried out with different techniques.

    6. Photoelectrochemical Manifestation of Photoelectron Transport Properties of Vertically Aligned Nanotubular TiO2 Photoanodes (pages 117–123)

      Haimin Zhang, Huijun Zhao, Shanqing Zhang and Xie Quan

      Article first published online: 10 DEC 2007 | DOI: 10.1002/cphc.200700406

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      Nanotubular TiO2: The photoelectron transport properties of vertically aligned nanotubular TiO2 photoanodes (see picture) are studied by a simple photoelectrochemical method. Based on intensity-resolved measurements it can be concluded that the photocurrent efficiency is determined by the effective cross-section surface area of the nanotube walls and not by the length of the nanotubes.

    7. Carbon-Centered Radical Addition and β-Scission Reactions: Modeling of Activation Energies and Pre-exponential Factors (pages 124–140)

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

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200700469

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      Radical reaction chemistry: A consistent set of group additive values ΔGAV° for 46 groups is derived, allowing the calculation of rate coefficients for hydrocarbon radical additions and β-scission reactions (see figure). In most cases the GA method performs even better than standard DFT calculations for which a deviation factor of 10 is generally considered to be acceptable.

    8. Transmission Holographic Polymer Dispersed Liquid Crystals Based on a Siloxane Polymer (pages 141–146)

      Ju Yeon Woo, Eun Hee Kim and Byung Kyu Kim

      Article first published online: 13 DEC 2007 | DOI: 10.1002/cphc.200700521

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      The addition of hydroxyl terminated poly(dimethylsiloxane) (PDMS) reduces the miscibility between a polymer matrix and a liquid crystal (LC), which gives rise to a significant phase separation, a large LC channel (see figure), an important refractive-index mismatch, and eventually to a high diffraction efficiency of the composite film.

    9. Photobleaching in Two-Photon Scanning Fluorescence Correlation Spectroscopy (pages 147–158)

      Zdeněk Petrášek and Petra Schwille

      Article first published online: 10 DEC 2007 | DOI: 10.1002/cphc.200700579

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      Good agreement: A circularly scanning laser focus studies photobleaching effects as a function of intensity and scan parameters. The observations agree with a theoretical model of photobleaching effects, which takes into account the nonuniform excitation profile, the stationary profile of nonbleached molecules c(r), and the resulting fluorescence profile F(r) (see picture).

    10. A Pragmatic Recipe for the Treatment of Hindered Rotations in the Vibrational Averaging of Molecular Properties (pages 159–170)

      Brendan C. Mort and Jochen Autschbach

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200700628

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      Effects of internal rotations: A computational procedure to treat hindered rotations in the vibrational averaging of molecular properties and their temperature dependence is undertaken. The figure shows the impact of the hindered rotation of the methyl group in (R)-methyloxirane on the optical rotation as a function of temperature.

    11. Isotope and Surface Temperature Effects for Hydrogen Recombination on a Graphite Surface (pages 171–181)

      M. Rutigliano and M. Cacciatore

      Article first published online: 20 DEC 2007 | DOI: 10.1002/cphc.200700394

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      Hydrogen recombination: Semiclassical molecular dynamics calculations are performed to study isotope and surface temperature effects on a graphite surface (see figure), taking into account the multiphonon excitation/de-excitation processes in the graphite substrate.

  9. Preview

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Review
    7. Essays
    8. Communications
    9. Articles
    10. Preview
    1. Preview: ChemPhysChem 2/2008 (page 186)

      Article first published online: 4 JAN 2008 | DOI: 10.1002/cphc.200890002

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