ChemPhysChem

Cover image for Vol. 18 Issue 15

Editor: Greta Heydenrych; Editorial Board Chairs: Christian Amatore, Michael Grätzel, Michel Orrit

Impact Factor: 3.075

ISI Journal Citation Reports © Ranking: 2016: 8/35 (Physics Atomic Molecular & Chemical); 54/145 (Chemistry Physical)

Online ISSN: 1439-7641

Associated Title(s): Advanced Materials, ChemBioChem, ChemCatChem, ChemElectroChem, ChemPhotoChem, ChemSusChem, Small

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Recently Published Articles

  1. Solid State Step-Scan FTIR Spectroscopy of Binuclear Copper(I) Complexes

    Manuel Zimmer, Fabian Dietrich, Daniel Volz, Stefan Bräse and Markus Gerhards

    Accepted manuscript online: 16 AUG 2017 12:35PM EST | DOI: 10.1002/cphc.201700753

  2. Exploring Electrical Currents through Nanographenes: Visualization and Tuning of the Through-Bond Transmission Paths

    Thijs Stuyver, Nathalie Blotwijk, Stijn Fias, Paul Geerlings and Frank De Proft

    Accepted manuscript online: 16 AUG 2017 07:27AM EST | DOI: 10.1002/cphc.201700874

  3. Periodic Mesoporous Organosilica Films with a Tunable Steady-State Mesophase

    Murad A. Redzheb, Dr. Sigrid Bernstorff, Barbara Sartori, Prof. Pascal Van Der Voort and Dr. Silvia Armini

    Version of Record online: 16 AUG 2017 | DOI: 10.1002/cphc.201700795

    Thumbnail image of graphical abstract

    It′s all under control: Control over the mesoscopic order in spin-coated periodic mesoporous organosilica (PMO) films is demonstrated. The control of the mesophase is possible as a result of the existence of a tunable steady state (TSS) in spin-coated PMO films. Increasing the relative humidity to 70 % during the TSS results in a mesophase transformation from a lamellar to a 3D hexagonal phase.

  4. Assessment of Density Functionals for Computing Thermodynamic Properties of Lanthanide Complexes

    Arnaud Jaoul, Dr. Grégory Nocton and Dr. Carine Clavaguéra

    Version of Record online: 16 AUG 2017 | DOI: 10.1002/cphc.201700629

    Thumbnail image of graphical abstract

    Shapes in the (electron) clouds: The equilibrium between the radical phenanthroline complex Cp2*Sm(phen) and the coupling product (Cp2*Sm(phen))2 has been investigated based on quantum chemistry calculations. Use of the PBE0-D3 and M06-2X functionals lead to a good evaluation of the energies and enable a correct description of the ligand to metal charge transfer, both in the 4f and 5d metal orbitals.

  5. Spontaneous Keto–Enol Tautomerization in the Crystal Lattice Visualized with the Help of Water Encapsulated in Hydrophilic Reservoirs

    Dr. Marta K. Dudek, Dr. Ewelina Wielgus, Dr. Piotr Paluch and Prof. Marek J. Potrzebowski

    Version of Record online: 16 AUG 2017 | DOI: 10.1002/cphc.201700678

    Thumbnail image of graphical abstract

    Observing the invisible: A simple technique is demonstrated to study processes that take place in the solid state which are normally considered to be “invisible”. Using the deuterium nucleus as a probe, it is proved that spontaneous keto–enol tautomerization is present in a crystal lattice of the studied hydrates (barbituric acid and (+)-catechin).

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