The present work focuses on theoretical understanding of electronic absorption energies of N,N-dimethylaniline with different ortho-, meta-, and para-substituted acceptor groups. The meta isomers exhibit the lowest absorption energy compared to the ortho and para derivatives. This unusual behavior of absorption energies of the meta isomers is related to the "meta effect" well-known in organic photochemical reactions. The meta effect of absorption energy of the derivatives is found to depend on the strength of acceptors, solvent polarity, and conjugation length. The meta derivatives with strong acceptor groups generally exhibit the lowest absorption energy over the other isomers irrespective of solvent polarity. However, the meta isomers with weak acceptor groups exhibit the meta effect only in highly polar solvents. The trend of the lowest absorption energies of the meta isomers is observed to change if the acceptor group is bridged through π conjugation unit (n) with the core moiety. The normal pattern of absorption energy that is the para isomer is of lowest energy is observed to occur for the derivatives where the repeated conjugation units (n) are between 2 and 4. The normal pattern of absorption energy is continued to observe from n > 4 for all the derivatives.
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http://dx.doi.org/10.1021/jo501507u | DOI Listing |
Chemistry
December 2024
Lanzhou University, College of Chemistry and Chemical Engineering, Lanzhou Tianshui south street 222, 730000, Lanzhou, CHINA.
Dual single-atom catalysts have attracted considerable research interest due to their higher metal atom loading and more flexible active sites compared to single-atom catalysts (SACs). We pioneered the one-step synthesis of sheets copper-cobalt graphitic carbon nitride dual single-atom (S-Cu/Co-g-C3N4) using folding fan-shaped aluminum foil as a template, and used them as catalysts in the epoxidation of styrene respectively. Through XAFS(X-ray Absorption Fine Structure) and other characterizations, it is found that Cu and Co single atoms are stabilized separately on g-C3N4 via coordination with nitrogen (N), hindered the ordered growth of sheets, and formed more pore structures, which not only increased more catalytically active sites, but also effectively prevented the flakes re-aggregate during the catalytic process.
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December 2024
Huazhong University of Science and Technology, School of Chemistry and Chemical Engineering, Luoyu load, 430074, Wuhan, CHINA.
Electrochemical carbon dioxide reduction reaction (CO2RR) to highly value-added C2+ fuels or chemicals is a promising pathway to address environment issues and energy crisis. In the periodic table, Cu as only the candidate can convert CO2 to C2+ products such as C2H4 and C2H5OH due to the suitable absorption energy to reaction intermediate. Application of Cu is limited for its low activity and poor selectivity.
View Article and Find Full Text PDFChemistry
December 2024
Tongji University, School of Chemical Science and Engineering, 1239 Siping Road, Shanghai, CHINA.
Upconverted circularly polarized luminescence (UC-CPL) active organic and organic-inorganic composite materials have garnered increasing attention due to their vast potential applications in areas such as 3D displays, encryptions, spintronics and optoelectronic devices. However, effective methods for fabricating chiral inorganic materials exhibiting UC-CPL remain a challenge. Herein, we propose an approach for the synthesis of UC-CPL active chiral mesostructured CeO2 powders (CMCs) via a hydrothermal growth method, using L/D-aspartic acid as symmetry-breaking and structure-directing agents.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Department of Applied Physics, Aalto University, FI-00076 Aalto, Finland.
Designer heterostructures have offered a very powerful strategy to create exotic superconducting states by combining magnetism and superconductivity. In this Letter, we use a heterostructure platform combining supramolecular metal complexes (SMCs) with a quasi-2D van der Waals superconductor NbSe_{2}. Our scanning tunneling microscopy measurements demonstrate the emergence of Yu-Shiba-Rusinov bands arising from the interaction between the SMC magnetism and the NbSe_{2} superconductivity.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Laboratory of Plasma Physics (LPP), CNRS, Sorbonne Université, École Polytechnique, Institut Polytechnique de Paris, Palaiseau, France.
Energy conservation dictates that an electron with elementary charge e traversing a vacuum gap formed by electrodes maintained at potential difference U volts acquires maximum energy of eU. In many experiments electrons with energies as high as 3eU have been observed. The experimental discovery of this effect was made over 50 years ago and is still a subject of significant controversy in applications related to x-ray generation from high voltage discharges.
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