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http://dx.doi.org/10.1103/physrevb.44.5419 | DOI Listing |
Adv Mater
December 2024
WA School of Mines: Minerals, Energy and Chemical Engineering, Curtin University, Perth, WA, 6102, Australia.
Phys Chem Chem Phys
November 2024
Elettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, Italy.
The valence and core electronic structure of three non-steroidal anti-inflammatory drugs (methyl salicylate, fenoprofen and ketoprofen) have been studied by photoelectron and soft X-ray absorption spectroscopy, supported by theoretical calculations of the molecular and electronic structure. The conformational landscape has been explored for sixteen low-energy conformers of fenoprofen and ketoprofen, and the energies of both compounds fall into two groups with steric similarities, separated by about 3 kJ mol. Valence band photoelectron spectra agree with previous results, and the spectra have been calculated using two approaches.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2024
Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan.
Metal-ligand delocalization of metal porphyrin complexes in aqueous solutions was investigated by analyzing the electronic structure of both the metal and ligand sides using soft X-ray absorption spectroscopy (XAS) at the metal L-edges and nitrogen K-edge, respectively. In the N K-edge XAS spectra of the ligands, the energies of the CN π* peaks of cobalt protoporphyrin IX (CoPPIX) are higher than iron protoporphyrin IX (FePPIX). The energy difference between the two lowest peaks in the XAS spectrum of CoPPIX is also larger than that of FePPIX.
View Article and Find Full Text PDFJ Synchrotron Radiat
September 2024
European XFEL, Germany.
One of the most challenging aspects of X-ray research is the delivery of liquid sample flows into the soft X-ray beam. Currently, cylindrical microjets are the most commonly used sample injection systems for soft X-ray liquid spectroscopy. However, they suffer from several drawbacks, such as complicated geometry due to their curved surface.
View Article and Find Full Text PDFACS Nano
September 2024
Materials Genome Institute, Shanghai University, Shanghai 200444, China.
Recharging primary batteries is of great importance for increasing the energy density of energy storage systems to power electric aircraft and beyond. Carbon fluoride (CF) cathodes are characterized by high specific capacity and energy density (865 mAh g and 2180 Wh kg, respectively). Preventing the crystallization of LiF with an intermediate and lowering the energy barrier from LiF to CF is expected to render the Li/CF battery reversible.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!