By introducing the next-nearest-neighboring (NNN) intersite coupling, we investigate the eigenenergies of the [Formula: see text]-symmetric non-Hermitian Su-Schrieffer-Heeger (SSH) model with two conjugated imaginary potentials at the end sites. It is found that with the strengthening of NNN coupling, the particle-hole symmetry is destroyed. As a result, the bonding band is first narrowed and then undergoes the top-bottom reversal followed by the its width's increase, whereas the antibonding band is widened monotonously. In this process, the topological state extends into the topologically-trivial region, and its energy departs from the energy zero point, accompanied by the emergence of one new topological state in this region. All these results give rise to the complication of the topological properties and the manner of [Formula: see text]-symmetry breaking. It can be concluded that the NNN coupling takes important effects to the change of the topological properties of the non-Hermitian SSH system.
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http://dx.doi.org/10.1088/1361-648X/ab62bd | DOI Listing |
Dalton Trans
December 2024
Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489 Berlin, Germany.
We report the proton-coupled electron transfer (PCET) reactivity of an octahedral Ta(V) aniline complex supported by an acridane-derived redox active NNN pincer ligand. The reversible binding of aniline to a Ta(V) dichloride induces significant coordination-induced bond weakening (CIBW) of the aniline N-H bonds. This enables a rare two-fold hydrogen atom abstraction, resulting in a terminal imido complex and a two-electron oxidation of the NNN pincer ligand, all while maintaining the metal's oxidation state.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Center for Engineering Concepts Development, Department of Mechanical Engineering, University of Maryland at College Park, College Park, Maryland 20742, USA.
In this paper, we develop a model based on a second quantization-with anharmonic phonon scattering and the phonon Boltzmann transport equation-to study precise high-resolution nonequilibrium vibrational energy transfer (VET) under selective phonon excitation in cyclotrimethylene trinitramine. We simulate mid-infrared pump-probe spectroscopy and observe a prompt appearance (<1 ps) of broad-spectrum intensity, which agrees well with experimental data in the literature. The selective excitation of phonons at different frequencies reveals distinct VET pathways and the kinetic evolution of mode occupations as the system reaches a new equilibrium temperature.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S. A. S. Nagar, Punjab 160062, India.
Correction for 'An NNN Pd(II) pincer complex with 1,1-diaminoazine: a versatile catalyst for acceptorless dehydrogenative coupling reactions' by Aabid A. Wani , , 2024, https://doi.org/10.
View Article and Find Full Text PDFBMC Plant Biol
November 2024
PMI R&D, Philip Morris Products S.A., Quai-Jeanrenaud 5, Neuchâtel, 2000, Switzerland.
Background: We have previously shown that the expression of a constitutively active nitrate reductase variant and the suppression of CLCNt2 gene function (belonging to the chloride channel (CLC) gene family) in field-grown tobacco reduces tobacco-specific nitrosamines (TSNA) accumulation in cured leaves and cigarette smoke. In both cases, TSNA reductions resulted from a strong diminution of free nitrate in the leaf, as nitrate is a precursor of the TSNA-producing nitrosating agents formed during tobacco curing and smoking. These nitrosating agents modify tobacco alkaloids to produce TSNAs, the most problematic of which are NNN (N-nitrosonornicotine) and NNK (4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone).
View Article and Find Full Text PDFInorg Chem
December 2024
College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, Hunan, P. R. China.
Inspired by the rapid growth of Ru-based complexes as molecular ammonia oxidation catalysts, we propose novel Ru-dpp complexes bearing a nitrogen donor as the axial ligand into the ammonia oxidation catalysts family. Herein, a series of Ru-dpp complexes [Ru(-,',″-dpp)(bpy)(L)]·PF (where Hdpp = 2-[5-(pyridin-2-yl)-1-pyrrol-2-yl]pyridine; bpy = 2,2'-bipyridine; L = pyridine (); 4-methylpyridine (); pyrimidine (); isoquinoline ()) containing aromatic nitrogen donor axial ligand are synthesized and fully characterized by NMR, IR, and ESI-MS. The structural analysis displays that dpp as a pincer ligand coordinates to ruthenium, and nitrogen donor L binds to ruthenium at an axial ligand.
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