A beyond-mean-field theory of new generation has been developed and applied for the first time to discuss the controversial N=32 and/or N=34 shell closures and the puzzling behavior of the transition probabilities from the ground to the first 2(+) state in the titanium isotopes. In the numerical applications, the finite range density dependent Gogny interaction has been used. As compared with the experimental data for several calcium, titanium, and chromium isotopes, we obtain a good agreement for the excitation energies and a reasonable one for the transition probabilities. Our calculations support a shell closure for N=32 but not for N=34.
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http://dx.doi.org/10.1103/PhysRevLett.99.062501 | DOI Listing |
J Phys Chem Lett
January 2025
Department of Chemistry, Anhui University, Hefei 230601, P. R. China.
Despite being studied for almost two centuries, aromaticity has always been a controversial concept. We previously proposed a unified aromatic rule for π-conjugated systems by two-dimensional (2D) superatomic-molecule theory, where benzenoid rings are treated as period 2 2D superatoms (3π-N, 4π-O, 5π-F, 6π-Ne) and, further, bond to form 2D superatomic molecules. Herein, to build a 2D periodic table, we further extend the theory to period 3 (7π-P, 8π-S, 9π-Cl, 10π-Ar) and period 1 (1π-H, 2π-He) elements.
View Article and Find Full Text PDFSci Rep
December 2024
Laboratory of Molecular Genetics, Immunology and Biotechnology (LR99ES12), Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis, 2092, Tunisia.
To manage the adverse effects of garbage pollution and avoid using chemicals, a natural extract of seafood shells was obtained and explored for its beneficial role. Physical characterization highlighted that its active compounds correspond to chitin and its derivative, chitosan. The ability of the extracted biostimulant to foster tomato tolerance was tested on drought-stressed plants.
View Article and Find Full Text PDFJ Phys Chem Lett
November 2024
Department of Chemistry, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi Kohoku-ku, Yokohama 223-8522, Japan.
The design of materials with intriguing electronic properties is crucial for advancing nanoscale technologies, where precise control over atomic structure and electronic behavior is essential. Metal-encapsulating silicon cage superatoms (SAs) provide a new paradigm for molecular-scale material design, allowing fine-tuning of both structure and electronic characteristics. The formation of superatoms mimicking halogens, noble gases, and alkali metals has been well-studied, particularly with M@Si, where early transition metals from groups 3 to 5 stabilize within a Si cage, achieving a 68-electron configuration.
View Article and Find Full Text PDFPhys Rev Lett
September 2024
Department of Physics, University of Jyväskylä, Accelerator Laboratory, P.O. Box 35, FI-40014, Jyväskylä, Finland.
Langmuir
October 2024
The Key Laboratory of Synthetic and Biological Colloids, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, Lihu Street 1800, Wuxi 214122, China.
In this work, a smart self-healing coating with long-term anticorrosion ability was developed based on multiresponsive polyaniline (PANI) porous microspheres. The polyaniline porous microspheres loaded with corrosion inhibitor (benzotriazole, BTA) was prepared by the emulsion template method and photopolymerization. The BTA loaded in the polyaniline microspheres acted as a corrosion inhibitor, while the polyaniline in the shell performed the multiple functions of corrosion inhibition, pH-responsive and photoresponsive release, and photothermal conversion.
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