ChemPhysChem

Journal: ChemPhysChem

Abbreviation

Chem Phys Chem

Publisher

Wiley

ISSN

1439-4235
1439-7641

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Publications 1 - 10 of 69

Enhancing the deperoxidation activity of cobalt(II)acetylacetonate by the addition of octanoic acid
Spier, Eyal; Hermans, Ive (2013)
ChemPhysChem
Chirality Induction from a Chiral Guest to the Hydrogen-Bonding Network of Its Hexameric Resorcinarene Host Capsule
Pollok, Corina H.; Zhang, Qi; Tiefenbacher, Konrad; et al. (2017)
ChemPhysChem
Time-Resolved X-ray Powder Diffraction Study of Photoinduced Phase Transition in Ti3O5 Nanoparticles
Tasca, Kelin R.; Esposito, Vincent; Lantz, Gabriel; et al. (2017)
ChemPhysChem
On the Threshold Photoelectron Spectrum of Fulvenone, a Reactive Ketene Derivative in Lignin Valorization
Hemberger, Patrick; Pan, Zeyou; Bodi, Andras; et al. (2020)
ChemPhysChem
Unveiling reaction mechanisms by isomer‐selective detection of reactive intermediates requires advanced spectroscopic knowledge. We study the photoionization of fulvenone (c‐C 5 H 4 =C=O), a reactive ketene species relevant in catalytic pyrolysis of lignin, which was generated by pyrolysis of 2‐methoxy acetophenone. The highresolution threshold photoelectron spectrum (TPES) with vacuum ultraviolet synchrotron radiation revealed well‐resolved vibrational transitions, assigned to ring deformation modes of the cyclopentadienyl moiety. The adiabatic ionization energy was determined to be 8.25 ± 0.01 eV and is assigned to the X + 2 A 2 ← X + 1 A 1 transition. A broad and featureless band arising at 9 eV is associated with the A + 2 B 1 ← X + 1 A 1 excitation. A conical intersection is responsible for the ultrafast relaxation of the fulvenone cation from the A + into the X + state resulting in a featureless and lifetime broadened band. These insights will increase the detection capabilities for fulvenone and thereby help to elucidate reaction mechanisms in lignin catalytic pyrolysis.
Ozone-Induced Band Bending on Metal-Oxide Surfaces Studied under Environmental Conditions
Lampimäki, Markus; Zelenay, Veronika; Krepelova, Adela; et al. (2013)
ChemPhysChem
Recent Progress in Theoretical and Computational Chemistry
Batista, Victor S.; Grimme, Stefan; Reiher, Markus (2011)
ChemPhysChem
A Method to Explore Protein Side Chain Conformational Variability Using Experimental Data
Allison, Jane R.; van Gunsteren, Wilfred F. (2009)
ChemPhysChem
Cryogenic Colocalization Microscopy for Nanometer-Distance Measurements
Weisenburger, Siegfried; Jing, Bo; Hanni, Dominik; et al. (2014)
ChemPhysChem
Interconversion Rates between Conformational States as Rationale for the Membrane Permeability of Cyclosporines
Witek, Jagna; Mühlbauer, Max; Keller, Bettina G.; et al. (2017)
ChemPhysChem
A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination
Huber, Matthias; Hiller, Sebastian; Schanda, Paul; et al. (2011)
ChemPhysChem

Publications 1 - 10 of 69

Journal: ChemPhysChem

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