Search Results - "Hieringer, Wolfgang"
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Surface-Assisted Organic Synthesis of Hyperbenzene Nanotroughs
Published in Angewandte Chemie International Edition (22-04-2013)“…A hexagonal macrocycle consisting of 18 phenylene units (hyperbenzene) was synthesized on a Cu(111) surface in ultrahigh vacuum by Ullmann coupling of six…”
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The Surface Trans Effect: Influence of Axial Ligands on the Surface Chemical Bonds of Adsorbed Metalloporphyrins
Published in Journal of the American Chemical Society (27-04-2011)“…The chemical bond between an adsorbed, laterally coordinated metal ion and a metal surface is affected by an additional axial ligand on the metal ion. This…”
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3
Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations
Published in The Journal of chemical physics (07-08-2010)“…The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the…”
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4
Combined Photoemission and Scanning Tunneling Microscopy Study of the Surface-Assisted Ullmann Coupling Reaction
Published in Journal of physical chemistry. C (03-04-2014)“…The adsorption and reaction of 4,4″-dibromo-para-terphenyl (DBTP) and 1,3,5-tris(4-bromophenyl)benzene (TBB) on Cu(111) surface were studied with X-ray…”
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On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring
Published in Journal of the American Chemical Society (15-01-2020)“…The synthesis of cycloarenes in solution is challenging because of their low solubility and the often hindered cyclodehydrogenation reaction of their nonplanar…”
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Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study
Published in Inorganic chemistry (06-05-2013)“…The mechanism of the water-gas shift reaction catalyzed by Ru(CO)5 is analyzed using density functional methods in solution within the conductor-like screening…”
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Toward Ionic-Liquid-Based Model Catalysis: Growth, Orientation, Conformation, and Interaction Mechanism of the [Tf2N]− Anion in [BMIM][Tf2N] Thin Films on a Well-Ordered Alumina Surface
Published in Langmuir (18-05-2010)“…Aiming at a better understanding of the interaction of ionic liquid (IL) thin films with oxide supports, we have performed a model study under ultrahigh vacuum…”
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8
Dehydrogenation Mechanism of Liquid Organic Hydrogen Carriers: Dodecahydro-N-ethylcarbazole on Pd(111)
Published in Chemistry : a European journal (12-08-2013)“…Dodecahydro‐N‐ethylcarbazole (H12‐NEC) has been proposed as a potential liquid organic hydrogen carrier (LOHC) for chemical energy storage, as it combines both…”
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9
Molecular Wires in Single-Molecule Junctions: Charge Transport and Vibrational Excitations
Published in Chemphyschem (12-07-2010)“…We investigate the effect of vibrations on the electronic transport through single‐molecule junctions, using the mechanically controlled break junction…”
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On the Energetics of Conformational Switching of Molecules at and Close to Room Temperature
Published in Journal of the American Chemical Society (29-01-2014)“…We observe and induce conformational switching of individual molecules via scanning tunneling microscopy (STM) at and close to room temperature…”
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11
Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements
Published in Physical review. X (13-02-2019)“…The interaction of carbon-based aromatic molecules and nanostructures with metals can strongly depend on the topology of theirπ-electron systems. This is shown…”
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12
Synthesis and Photoinduced Electron-Transfer Properties of Phthalocyanine-[60]Fullerene Conjugates
Published in Chemistry : a European journal (18-04-2008)“…A series of three novel ZnPc–C60 conjugates (Pc=phthalocyanine) 1 a–c bearing different spacers (single, double, and triple bond) between the two electroactive…”
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13
Chemical Fingerprints of Large Organic Molecules in Scanning Tunneling Microscopy: Imaging Adsorbate−Substrate Coupling of Metalloporphyrins
Published in Journal of physical chemistry. C (17-09-2009)“…In this combined experimental and theoretical work we demonstrate at the example of tetraphenylporphyrins on Ag(111) how differences in individual adsorbate…”
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14
Highly Active Ruthenium Catalysts for Olefin Metathesis: The Synergy of N-Heterocyclic Carbenes and Coordinatively Labile Ligands
Published in Angewandte Chemie International Edition (16-08-1999)“…Two N‐heterocyclic carbene ligands at once may be one too many, at least if you intend to have highly active ruthenium catalysts for olefin metathesis. Density…”
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15
Polymer-Supported Carbene Complexes of Palladium: Well-Defined, Air-Stable, Recyclable Catalysts for the Heck Reaction
Published in Chemistry : a European journal (15-05-2000)“…N‐Heterocyclic dicarbene chelate complexes of formula [cis‐CH2{N(H)CC(H)N(R)C}2PdX2] (X=Br, I; R=(CH2)nOH; n=2, 3) have been prepared and structurally…”
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Formation of the Calcium/Poly(3-Hexylthiophene) Interface: Structure and Energetics
Published in Journal of the American Chemical Society (23-09-2009)“…The adsorption of Ca on poly(3-hexylthiophene) (P3HT) has been studied by adsorption microcalorimetry, atomic beam/surface scattering, X-ray photoelectron…”
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Nanoribbons with Nonalternant Topology from Fusion of Polyazulene: Carbon Allotropes beyond Graphene
Published in Journal of the American Chemical Society (06-11-2019)“…Various two-dimensional (2D) carbon allotropes with nonalternant topologies, such as pentaheptites and phagraphene, have been proposed. Predictions indicate…”
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Density Functional Calculation of the Electronic Circular Dichroism Spectra of the Transition Metal Complexes [M(phen)3]2+ (M = Fe, Ru, Os)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02-06-2005)“…The circular dichroism spectra of the tris-bidentate metal complexes Λ-[M(phen)3]2+, with M = Fe, Ru, Os and phen = 1,10-tris-phenanthroline, are investigated…”
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On-Surface Synthesis and Characterization of Honeycombene Oligophenylene Macrocycles
Published in ACS nano (24-01-2017)“…We report the on-surface formation and characterization of [30]-honeycombene, a cyclotriacontaphenylene, which consists of 30 phenyl rings (C180H120) and has a…”
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Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
Published in Angewandte Chemie International Edition (07-07-2014)“…The low‐temperature (<−35 °C) reduction of the trivalent uranium monoarene complex [{(Ad,MeArO)3mes}U] (1), with potassium spheres in the presence of a slight…”
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