The gas-phase ion chemistry of propene-ammonia and silane-propene-ammonia mixtures was studied by ion trap mass spectrometry. As far as the binary mixture is concerned, the effect of different molar ratios of the reactants on the trend of ion species formed was evaluated, the ion-molecule reaction processes were identified and the rate constants for the main processes were measured. The results were compared with the collisional rate constants to determine the reaction efficiencies. In the ternary silane-propene-ammonia mixture the mechanisms of formation of Si(m)C(n)N(p)H(q)(+) clusters were elucidated and the rate constants of the most important steps were measured. For some species, selected by double isolation (MS/MS), the low abundance of the ions allowed us to determine the reaction paths but not the rate constants. Ternary ions are mainly formed by reactions of Si(m)C(n)H(q)(+) ions with ammonia, whereas a minor contribution comes from reactions of Si(m)N(p)H(q)(+) ions with propene. On the other hand, the C(n)N(p)H(q)(+) ions showed a very low reactivity and no step leading to ternary ion species was identified. The formation of hydrogenated ternary ions with Si, C and N has a basic importance in relation to their possible role as precursors of amorphous silicon carbides doped with nitrogen obtained by deposition from silane-propene-ammonia mixtures properly activated.
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http://dx.doi.org/10.1002/jms.379 | DOI Listing |
J Chem Theory Comput
January 2025
Laboratoire ICB, UMR-6303 CNRS/uB, Université de Bourgogne, 9 avenue Alain Savary, 21078 Cedex Dijon, France.
We report full quantum-computed average microcanonical, initial state-specific, and canonical cumulative time-delays associated with the O + O scattering, presented as a function of total energy (in relation to an idealized molecular beam experiment) or temperature (for the properties of the gas phase in bulk conditions). We show that these quantities are well-defined and computable, with a temperature-dependent (canonical) time-delay presenting a smooth, monotonic decreasing behavior with temperature, despite an energy-dependent (microcanonical) time-delay of apparent chaotic character. We discuss differences in behavior when considering isotopic variations, O + OO and O + OO, with respect to the reference process O + OO and reveal a greater magnitude of the cumulative time-delay when genuinely reactive events can take place, in the presence of O.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Environment, Zhejiang University of Technology, Hangzhou, 310014, China.
The generation of radicals through photo-Fenton-like reactions demonstrates significant potential for remediating emerging organic contaminants (EOCs) in complex aqueous environments. However, the excitonic effect, induced by Coulomb interactions between photoexcited electrons and holes, reduces carrier utilization efficiency in these systems. In this study, we develop Cu single-atom-loaded covalent organic frameworks (Cu/COFs) as models to modulate excitonic effects.
View Article and Find Full Text PDFNat Commun
January 2025
State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants, School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, P.R. China.
In this study, we introduce a highly effective non-metallic iodine single-atom catalyst (SAC), referred to as I-NC, which is strategically confined within a nitrogen-doped carbon (NC) scaffold. This configuration features a distinctive C-I coordination that optimizes the electronic structure of the nitrogen-adjacent carbon sites. As a result, this arrangement enhances electron transfer from peroxymonosulfate (PMS) to the active sites, particularly the electron-deficient carbon.
View Article and Find Full Text PDFJ Hand Ther
January 2025
University of Texas Medical Branch, School of Medicine, Department of Orthopaedic Surgery and Rehabilitation, Galveston, TX, USA.
Background: In 1998, the American Hand Therapy Foundation (AHTF) surveyed Certified Hand Therapists and active Charter Members of the American Society of Hand Therapists to identify hand rehabilitation research priorities, guide grant awards, and confirm alignment with the foundation's mission.
Purpose: The American Hand Therapy Foundation repeated the survey in 2021 to confirm that its award funding was consistent with hand therapists' research priorities.
Study Design: Convergent parallel mixed method study design.
Sci Total Environ
January 2025
Key Laboratory for City Cluster Environmental Safety and Green Development of the Ministry of Education, Institute of Environmental and Ecological Engineering, Guangdong University of Technology, Guangzhou, 510006, China; Guangdong Basic Research Center of Excellence for Ecological Security and Green Development, Guangzhou, 510000, China.
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