We present detailed ab initio scattering calculations for electron collisions with para-benzoquinone. The R-matrix method has been used to study elastic and electronically inelastic scattering. We have identified 25 resonances of shape, Feshbach, core-excited shape and mixed character between 0 and 8 eV. Agreement of our resonance spectrum with existing literature is discussed, in particular that of the low-lying resonances that participate in the photodetachment process. Integral elastic and total inelastic cross sections are also presented.
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http://dx.doi.org/10.1039/c7cp02916k | DOI Listing |
Nat Commun
January 2025
Department of Physics and Arnold Sommerfeld Center for Theoretical Physics (ASC), Ludwig-Maximilians-Universität München, München, Germany.
Resonant interactions associated with the emergence of a bound state constitute one of the cornerstones of modern many-body physics. Here we present a Feshbach perspective on the origin of strong pairing in Fermi-Hubbard type models. We perform a theoretical analysis of interactions between spin-polaron charge carriers in doped Mott insulators, modeled by a near-resonant two-channel scattering problem, and report evidence for Feshbach-type interactions in the channel, consistent with the established phenomenology of cuprates.
View Article and Find Full Text PDFJACS Au
December 2024
Department of Chemistry, University of Connecticut, Storrs, Connecticut 06269-3060, United States.
Red-light absorbing photoredox catalysts offer potential advantages for large-scale reactions, expanding the range of usable substrates and facilitating bio-orthogonal applications. While many red-light absorbing/emitting fluorophores have been developed recently, functional red-light absorbing photoredox catalysts are scarce. Many photoredox catalysts rely on long-lived triplet excited states (triplets), which can efficiently engage in single electron transfer (SET) reactions with substrates.
View Article and Find Full Text PDFMagn Reson Chem
December 2024
Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, Ioannina, Greece.
Detailed DFT studies of H and C NMR chemical shifts of hydroxy secondary oxidation products of various geometric isomers of conjugated linolenic acids methyl esters are presented. Several low energy conformers were identified for model compounds of the central dienenol OH moiety, which were found to be practically independent on the various functionals and basis sets used. This greatly facilitated the minimization process of the geometric isomers of conjugated linolenic acids methyl esters.
View Article and Find Full Text PDFRev Sci Instrum
December 2024
Kansai Photon Science Institute, National Institutes for Quantum Science and Technology, 8-1-7 Umemidai, Kizugawa-shi, Kyoto 619-0215, Japan.
Imaging plates (IPs) are valuable tools for measuring the intensity of ionizing radiation such as x-rays, electrons, and ions. In this work, we measured the sensitivity of IPs to carbon ions in the unexplored energy region of 0.7-10 keV.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 2024
Jilin University, Chemistry, 2699 Qianjin Street, 130012, Changchun, CHINA.
Green ammonia synthesis using fluctuating renewable energy supply in decentralized process is a goal that has been long sought after. Ammonia synthesis with non-thermal plasma under mild conditions is a promising technology, but it faces the critical challenge of low energy efficiency. Herein, we develop an easily-scalable AuCu3/Cu catalyst, which consists of a decimeter-scale metallic Cu antenna and nano-scale AuCu3 catalytic sites on metallic Cu surface, significantly enhancing the energy efficiency and ammonia yield in a radio-frequency (RF) plasma system.
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