Search results for "excited states"
showing 10 items of 51 documents
Collective 2$^{+1}$ excitations in$^{206}$Po and$^{208,210}$Rn
2016
In the present study, $B(E2; 2^{+}_{1}\rightarrow 0^{+}_{1})$ values have been measured in the 208,210Rn and 206Po nuclei through Coulomb excitation of re-accelerated radioactive beams in inverse kinematics at CERN-ISOLDE. These nuclei have been proposed to lie in, or at the boundary of the region where the seniority scheme should persist. However, contributions from collective excitations are likely to be present when moving away from the N=126 closed shell. Such an effect is confirmed by the observed increased collectivity of the $2^{+}_{1}\rightarrow 0^{+}_{1}$ transitions. Experimental results have been interpreted with the aid of theoretical studies carried out within the BCS-based QRP…
Excited states in the proton-unbound nuclide Ta-158
2016
Excited states in the neutron-deficient odd-odd proton-unbound nuclide $^{158}\mathrm{Ta}$ have been investigated in two separate experiments. In the first experiment, $^{166}\mathrm{Ir}$ nuclei were produced in the reactions of 380 MeV $^{78}\mathrm{Kr}$ ions with an isotopically enriched $^{92}\mathrm{Mo}$ target. The $\ensuremath{\alpha}$-decay chain of the ${9}^{+}$ state in $^{166}\mathrm{Ir}$ was analyzed. Fine structure in the $\ensuremath{\alpha}$ decay of the ${9}^{+}$ state in $^{162}\mathrm{Re}$ established a 66 keV difference in excitation energy between the lowest-lying ${9}^{+}$ and ${10}^{+}$ states in $^{158}\mathrm{Ta}$. Higher-lying states in $^{158}\mathrm{Ta}$ were popul…
The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study
2004
The Sm + O chemiionization reaction has been investigated theoretically using a method that allows for correlation and relativistic effects. Potential energy curves have been calculated for several electronic states of SmO and SmO+. Comparison with available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemiionization reaction Sm + O is proposed. The importance of spin–orbit coupling in the excited states of SmO, in allowing this chemiionization reaction to take place, has been revealed by these calculations. This paper shows the metal-plus-oxidant chemiionization reaction.
Theoretical study of the electronic spectrum of p-benzoquinone
1999
The electronic excited states of p-benzoquinone have been studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbital (ANO) basis sets. The calculation of the singlet–singlet and singlet–triplet transition energies comprises 19 valence singlet excited states, 4 valence triplet states, and the singlet 3s,3p, and 3d members of the Rydberg series converging to the first four ionization limits. The computed vertical excitation energies are found to be in agreement with the available experimental data. Conclusive assignments to both valence and Rydberg states have been performed. The main features of the electronic spectrum correspond to the π…
A theoretical study of the electronic spectrum of bithiophene
1995
The electronic spectrum of bithiophene in the energy range up to 6.0 eV has been studied using multiconfigurational second order perturbation theory (CASPT2) and a basis set of ANO type, with split valence quality and including polarization functions on all heavy atoms. Calculations were performed at a planar (trans) and twisted geometry. The calculated ordering of the excited singlet states is 1Bu, 1Bu, 1Ag, 1Ag, and 1Bu with 0–0 transition energies: 3.88, 4.15, 4.40, 4.71, and 5.53 eV, respectively. The first Rydberg transition (3s) has been found at 5.27 eV. The results have been used in aiding the interpretation of the experimental spectra, and in cases where a direct comparison is poss…
Sulfur Dioxide Oxidation Catalyzed by Photosensitized Ytterbium Diphthalocyanine
2008
Oxidation of SO2 into SO3 was found effectively catalyzed by photosensitized ytterbium diphthalocyanine, YbPc2 (Pc = phthalocyanine ligand, C32H16N8) when performed in air-saturated dimethylformamide (DMF) solution at 20 °C. The process follows according to a multi-step complex mechanism involving chemical induction as its driving force. Excitation energy of the sandwich molecular system in YbPc2 is used to promote the reaction by creating a reactive intermediate form of the ytterbium complex hosting up to eight SO2 molecules. The conversion of SO2 proved complete.
Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties
2020
The control of ligand-field splitting in iron (II) complexes is critical to slow down the metal-to-ligand charge transfer (MLCT)-excited states deactivation pathways. The gap between the metal-centered states is maximal when the coordination sphere of the complex approaches an ideal octahedral geometry. Two new iron(II) complexes (C1 and C2), prepared from pyridylNHC and pyridylquinoline type ligands, respectively, have a near-perfect octahedral coordination of the metal. The photophysics of the complexes have been further investigated by means of ultrafast spectroscopy and TD-DFT modeling. For C1, it is shown that&mdash
Theoretical characterization of the photochemical reaction CO2+O(3P)→CO+O2 related to experiments in solid krypton
2020
Formation and decomposition of the complex of carbon dioxide and atomic oxygen are characterized by quantum chemistry methods aiming to rationalize experimental studies in solid krypton. The observed FTIR spectra reflected the temporal evolution of the system after irradiation showing the bands of reactants, intermediates and products. Advanced quantum chemistry calculations show that the T-shape complex CO2…O(3P) can be formed in the matrix. Its excitation by the 193 nm light results in the charge-transfer state CO2+…O-, which evolves to the reaction intermediate CO3. The latter species decomposes to CO + O2 following pathways on the excited state energy surfaces. peerReviewed
Identification of a dipole band above the Iπ = 31/2- isomeric state in 189Pb
2015
A dipole band of six transitions built upon a firmly established I π = 31/2− isomeric state has been identified in 189Pb using recoil-isomer tagging. This is the lightest odd-mass Pb nucleus in which a dipole band is known. The dipole nature of the new transitions has been confirmed through angular-intensity arguments. The evolution of the excitation energy and the aligned-angular momentum of the states in the new dipole band are compared with those of dipole bands in heavier, odd-mass lead isotopes. This comparison suggests that the new band in 189Pb is based upon a π[s−2 1/2h9/2i13/2]11− ⊗ ν[i −1 13/2+ ]13/2+ configuration. However, the increased aligned-angular momentum in 189Pb may sugg…
Excited states and reduced transition probabilities in Os 168
2016
The level scheme of the neutron-deficient nuclide 168Os has been extended and mean lifetimes of excited states have been measured by the recoil distance Doppler-shift method using the JUROGAM γ -ray spectrometer in conjunction with the IKP Koln plunger device. The ¨ 168Os γ rays were measured in delayed coincidence with recoiling fusion-evaporation residues detected at the focal plane of the RITU gas-filled separator. The ratio of reduced transition probabilities B(E2; 4+ 1 → 2+ 1 )/B(E2; 2+ 1 → 0+ 1 ) is measured to be 0.34(18), which is very unusual for collective band structures and cannot be reproduced by interacting boson model (IBM-2) calculations based on the SkM* energy-density func…