Search Results - "Rubensson, Jan‐Erik"
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Direct Observation of Molecular Orbital Mixing in a Solvated Organometallic Complex
Published in Angewandte Chemie International Edition (09-09-2013)“…Fundamental processes: Charge donation/backdonation in the [Fe(CO)5] molecule in solution was measured by resonant inelastic X‐ray scattering. This method can…”
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Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths
Published in Scientific reports (18-02-2021)“…Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance…”
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A 1D imaging soft X‐ray spectrometer for the small quantum systems instrument at the European XFEL
Published in Journal of synchrotron radiation (01-09-2024)“…A 1D imaging soft X‐ray spectrometer installed on the small quantum systems (SQS) scientific instrument of the European XFEL is described. It uses movable…”
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Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering
Published in Scientific reports (29-01-2016)“…Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes…”
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On the Origin of the Hydrogen-Bond-Network Nature of Water: X-Ray Absorption and Emission Spectra of Water-Acetonitrile Mixtures
Published in Angewandte Chemie International Edition (04-11-2011)“…A liquid microjet was used to obtain oxygen K‐edge X‐ray absorption and emission spectra of water–acetonitrile mixtures of various compositions. The observed…”
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Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings
Published in Journal of synchrotron radiation (01-09-2014)“…The spectroscopic technique of resonant inelastic X‐ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction‐limited…”
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Unveiling the complex electronic structure of amorphous metal oxides
Published in Proceedings of the National Academy of Sciences - PNAS (19-04-2011)“…Amorphous materials represent a large and important emerging area of material's science. Amorphous oxides are key technological oxides in applications such as…”
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High-resolution resonant inelastic soft X-ray scattering applied to liquids
Published in Journal of electron spectroscopy and related phenomena (01-06-2013)“…► Vibrational excitations in liquids resolved in RIXS are observed. ► Soft vibrational modes are quenched in the RIXS process. ► Intermolecular dipole–dipole…”
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DMSO–Water Clustering in Solution Observed in Soft X‑ray Spectra
Published in The journal of physical chemistry letters (20-12-2012)“…The significant deviation from the ideality of dimethyl sulfoxide (DMSO)/water mixtures can be addressed based on the change of the local molecular orbitals of…”
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Pressure-induced magnetovolume effect in CoCrFeAl high-entropy alloy
Published in Communications physics (02-05-2019)“…High-entropy alloys (HEAs) composed of multiple-principal elements with (nearly) equimolar ratio establish a new conceptual framework for alloy design and hold…”
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Angular anisotropy of resonant inelastic soft x-ray scattering from liquid water
Published in Physical review. B, Condensed matter and materials physics (01-04-2009)Get full text
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The Chemical Bond in Carbonyl and Sulfinyl Groups Studied by Soft X-ray Spectroscopy and ab Initio Calculations
Published in Chemphyschem (17-09-2012)“…The polar character of the sulfinyl bond, which determines many of the properties of dimethyl sulfoxide (DMSO), is a result of charge transfer in low‐lying…”
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Local Electronic Structure of Functional Groups in Glycine As Anion, Zwitterion, and Cation in Aqueous Solution
Published in The journal of physical chemistry. B (10-12-2009)“…Nitrogen and oxygen K emission spectra of glycine in the form of anions, zwitterions, and cations in aqueous solution are presented. It is shown that…”
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Chemical and electronic structures of liquid methanol from x-ray emission spectroscopy and density functional theory
Published in Physical review. B, Condensed matter and materials physics (01-03-2005)“…We have applied x-ray emission spectroscopy and density functional theory (DFT) to study the chemical and electronic structures of liquid methanol. The x-ray…”
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15
Breakdown of the molecular orbital picture for X-ray emission of water
Published in Chemical physics letters (16-11-2024)“…By measuring X-ray emission of the water molecule in liquid phase we establish a first example of K-shell X-ray emission spectra with strong breakdown of the…”
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16
Electronic Structure of Water Molecules Confined in a Micelle Lattice
Published in The journal of physical chemistry. B (18-06-2009)“…Oxygen K absorption and emission spectra of water molecules confined in dodecyltrimethyl ammonium chloride micelle structures are presented. The local…”
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17
Tracking Cavity Formation in Electron Solvation: Insights from X‑ray Spectroscopy and Theory
Published in Journal of the American Chemical Society (07-02-2024)“…We present time-resolved X-ray absorption spectra of ionized liquid water and demonstrate that OH radicals, H3O+ ions, and solvated electrons all leave…”
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Resonant soft X-ray emission for studies of molecules and solids
Published in Journal of electron spectroscopy and related phenomena (01-06-2013)“…► History of RIXS development reviewed. ► Electronic structure and fast dynamics. ► Gases, liquids, and solid state applications. Resonant inelastic X-ray…”
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Resonant inelastic scattering spectra of free molecules with vibrational resolution
Published in Physical review letters (14-05-2010)“…Inelastic x-ray scattering spectra excited at the 1s(-1)π* resonance of gas phase O2 have been recorded with an overall energy resolution that allows for…”
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Influence of the Radiative Decay on the Cross Section for Double Excitations in Helium
Published in Physical review letters (02-08-1999)“…The fluorescence yield spectrum of the double excitations in helium has been measured. All three Rydberg series converging to the N = 2 threshold are resolved,…”
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