Search results for "FELIX Molecular Structure and Dynamics"

showing 2 items of 2 documents

Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging

2019

We report the first gas-phase vibrational spectra of the hydrocarbon ions C3H+ and C3H2+. The ions were produced by electron impact ionization of allene. Vibrational spectra of the mass-selected ions tagged with Ne were recorded using infrared predissociation spectroscopy in a cryogenic ion trap instrument using the intense and widely tunable radiation of a free electron laser. Comparison of high-level quantum chemical calculations and resonant depletion measurements revealed that the C3H+ ion is exclusively formed in its most stable linear isomeric form, whereas two isomers were observed for C3H2+. Bands of the energetically favored cyclic c-C3H2+ are in excellent agreement with calculated…

FELIX Molecular Structure and Dynamics010304 chemical physicsInfraredAlleneAnharmonicityInfrared spectroscopyFELIX Infrared and Terahertz Spectroscopy010402 general chemistry01 natural sciencesMolecular physicsArticle0104 chemical sciencesIonchemistry.chemical_compoundchemistry0103 physical sciencesIon trapPhysical and Theoretical ChemistrySpectroscopyElectron ionization
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Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

2017

We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground sta…

Materials scienceFOS: Physical sciences02 engineering and technologyElectronic structure01 natural sciencesMolecular physicsAtomic unitslaw.inventionCondensed Matter::Materials Sciencelaw0103 physical sciencesMicroscopyMesoscale and Nanoscale Physics (cond-mat.mes-hall)010306 general physicsFELIX Molecular Structure and DynamicsCondensed Matter - Materials ScienceCondensed Matter - Mesoscale and Nanoscale PhysicsScanning Probe MicroscopyBilayerRelaxation (NMR)Materials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyDensity functional theoryScanning tunneling microscope0210 nano-technologyGround state
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