The cross section for bond breaking at the site of a dissociative temporary negative ion state through the dissociative electron attachment process can be considerably enhanced by the presence of a second longer-lived temporary negative ion state elsewhere in the molecule, even one quite remote from the first. In a series of chloroalkenes possessing both C-Cl and C==C bonds separated by various distances, we show that the cross sections are determined by the lifetime of the lower anion state created by the mixing of the anion states of these two moieties, with the wave function's coefficients giving the probability that the electron is located at the dissociative site. Furthermore, the lifetime of the composite anion state can be expressed in terms of these same coefficients and the lifetimes of the unmixed resonances. We also discuss how these results may give insight into the means by which strand breaks are induced in DNA by the attachment of slow electrons.
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http://dx.doi.org/10.1063/1.2358683 | DOI Listing |
Sci Rep
January 2025
Department of Development and Regeneration, Faculty of Medicine, KU Leuven, Leuven, Belgium.
Self-regulation and executive functioning are known key predictors of future cognitive development and mental health. We examined the effect of early life neonatal stress, maternal perinatal stress, kangaroo care, maternal parenting behavior and secure child attachment on executive function at 2 years corrected age (CA) in children born preterm (i.e.
View Article and Find Full Text PDFMicrosc Microanal
January 2025
Stuttgart Center for Electron Microscopy, Max Planck Institute for Solid State Research, Heisenbergstraße 1, Stuttgart 70569, Germany.
In the field of quantum materials, understanding anomalous behavior under charge degrees of freedom through bond formation is of fundamental importance, with two key concepts: Dimerization and charge order at different cation sites. The coexistence of both dimerization and charge ordering is unusually found in NaRu2O4, even in its metallic state at room temperature. Our work unveils the origin of the interplay of these effects within metallic single-crystalline NaRu2O4.
View Article and Find Full Text PDFJ Mol Model
January 2025
Departamento de Investigación y Desarrollo, ConsultoresAcademicos SpA, Moneda 1137, 8340457, Santiago, Chile.
Context: This study meticulously examines the criteria for assigning electron rearrangements along the intrinsic reaction coordinate (IRC) leading to bond formation and breaking processes during the pyrolytic isomerization of cubane (CUB) to 1,3,5,7-cyclooctatetraene (COT) from both thermochemical and bonding perspectives. Notably, no cusp-type function was detected in the initial thermal conversion step of CUB to bicyclo[4.2.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
Liaoning Key Laboratory for Chemical Clean Production, Liaoning Key Laboratory for Surface Functionalization of Titanium Dioxide Powder, Institute of Ocean Research, Institute Environmental Research, College of Chemistry and Material Engineering, Bohai University, Jinzhou 121013 Liaoning, China. Electronic address:
Developing new conductive primers to ensure electrostatic spraying is crucial in response to the call for lightweight production of new energy vehicles. We report a stabilized material, Fe-T/G, of Fe-doped TiO composite graphene synthesized by a simple hydrothermal and electrostatic self-assembly method. The resistivity decreases from 0.
View Article and Find Full Text PDFSmall
January 2025
Institute of Materials for Energy and Environment, College of Materials Science and Engineering, Qingdao University, Qingdao, 266071, P. R. China.
Construction of core-shell structured electrocatalysts with a thin noble metal shell is an effective strategy for lowering the usage of the noble metal and improving electrocatalytic properties because of the structure-induced geometric and electronic effects. Here, the synthesis of a novel core-shell structured nanocatalyst consisting of a thin amorphous Pd shell and a crystalline PdCu core and its significantly improved electrocatalytic properties for both formic acid oxidation and oxygen reduction reactions are shown. The electrocatalyst exhibits 4.
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