Nuclides in the vicinity of 94Ag have been studied with the Penning trap mass spectrometer JYFLTRAP at the Ion-Guide Isotope Separator On-Line. The masses of the two-proton-decay daughter 92Rh and the beta-decay daughter 94Pd of the high-spin isomer in 94Ag have been measured, and the masses of 93Pd and 94Ag have been deduced. When combined with the data from the one-proton- or two-proton-decay experiments, the results lead to contradictory mass excess values for the high-spin isomer in 94Ag, -46 370(170) or -44 970(100) keV, corresponding to excitation energies of 6960(400) or 8360(370) keV, respectively.
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http://dx.doi.org/10.1103/PhysRevLett.101.142503 | DOI Listing |
Chem Commun (Camb)
January 2025
Department of Chemistry, Quantum Chemistry, TU Darmstadt, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany.
The two key parameters extracted from Mössbauer spectroscopy, isomer shift and quadrupole splitting, have well-known temperature dependencies. While the behavior of the values following a temperature change has long been known, its microscopic origins are less clear. For quantum chemical calculations - formally representing the situation at 0 K - significant discrepancies with the experiment can arise, especially at elevated temperatures.
View Article and Find Full Text PDFChemphyschem
December 2024
Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Madrid, 28049, Spain.
In this study, we systematically explored the stability and isomerism of neutral and dehydrogenated polycyclic aromatic hydrocarbons (PAHs) in various charge states, focusing on anthracene, acridine, and phenazine. Our findings highlight key aspects that deepen the understanding of these molecules' reactivity and stability, relevant in both laboratory and astrophysical contexts. Structural symmetry and the presence of nitrogen atoms significantly impact PAH stability and reactivity.
View Article and Find Full Text PDFDalton Trans
November 2024
Dipartimento di Scienze Chimiche e Geologiche e UdR INSTM, Università degli Studi di Modena e Reggio Emilia, via G. Campi 103, 41125 Modena, Italy.
First prepared in the late 70s, the pro-ligand 1,3-bis(3,5-dioxo-1-hexyl)benzene (Hbdhb) contains two acetoacetyl terminations linked to a central 1,3-phenylene unit through dimethylene bridges. Since each termination can be either in diketonic or keto-enolic form, in organic solution it exists as a mixture of three spectroscopically resolvable tautomers. In the presence of pyridine, Co and the bdhb anion form a crystalline dimeric compound with formula [Co(bdhb)(py)] (2) and a Co⋯Co separation of more than 11 Å.
View Article and Find Full Text PDFRSC Adv
October 2024
Laboratory for Chemical Computation and Modeling, Institute for Computational Science and Artificial Intelligence, Van Lang University Ho Chi Minh City Vietnam.
Inorg Chem
October 2024
Department of Chemistry, Furman University, Greenville, South Carolina 29613, United States.
Semilocal and random phase approximation (RPA) density functional theory (DFT) and complete active space (CASSCF + NEVPT2) methodologies were applied to investigate a new class of extended metal atom chain (EMAC) complexes. A novel triferrous complex has been synthesized recently that does not utilize the usual 2,2'-dipyridylamine (dpa) ligand framework, which essentially always results in a tetragonal coordination environment and general formula M(dpa)X, where X is an anion. Instead, the triferrous complex utilizes a dianionic, 2,6-bis(trimethylsilylamido)pyridine ligand (L) resulting in the formation of trigonal complexes with general formula .
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