Electronic structure and fluorescence spectrum of the HeO+ cation

Quantum-mechanical calculations of the potential curves of the HeO⁺ ion are preformed which correlate with four lower dissociation limits and indicate the excimer type of the ion. The transition dipole moments of the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions are calculated. The energies and radiative lifetimes of vibrational levels are determined and structural and spectroscopic constants of the states 1²Σ^?, 2²Σ^?, 1⁴Σ^?, and 2⁴Σ^? are calculated. The fluorescence spectrum corresponding to the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions is also calculated. The possibility of lasing at these transitions is discussed.     

Role of thermal and photobeta decays in processes of nucleosynthesis of problematic p nuclei of 113In, 115Sn, 92,94Mo, and 96,98Ru in massive stars

The temperature dependence of the rates of ¹¹³Cd →¹¹³In, ¹¹⁵In →¹¹⁵Sn, ⁹²Zr→⁹²Nb →⁹²Mo, ⁹⁴Zr→⁹⁴Nb →⁹⁴Mo, ⁹⁶Mo →⁹⁶Tc→⁹⁶Ru, and ⁹⁸Mo→⁹⁸Tc→⁹⁸Ru thermal beta transitions was studied at temperatures of massive-star matter in the range of 1 × 10⁸–6 × 10⁹ K. These decays are the possible channel of synthesis of the p nuclei of ¹¹³In, ¹¹⁵Sn, ⁹²,⁹⁴Mo, and ⁹⁶,⁹⁸Ru. The abundances of these nuclei present a challenge for models that study the explosivemechanism of synthesis. The contribution of photobeta decay to the synthesis of the aforementioned p nuclei was estimated. It was shown that the channel of thermal beta decay for ¹¹³In, ¹¹⁵Sn, ⁹⁴Mo, and ⁹⁸Ru p nuclei and the channel of photobeta decay for the ⁹⁶Mo p nucleus could be efficient at the high-temperature quasiequilibrium stage of massive-star evolution.     

Multireference configuration interaction study of ground and low-lying excited states of the AlC radical

This work explored the spectroscopic parameters and vibrational properties of the 21 Λ–S and 42 Ω states of the AlC radical. The PECs were calculated with the CASSCF method, which was followed by the icMRCI+Q approach. The A⁴Π, a²Π, 5²Π, 2²Δ, and 1²Φ states as well as the first well of B⁴Σ^? state were inverted with the spin–orbit coupling (SOC) effect included; the 1⁴Δ, 1⁴Σ⁺, and 2²Σ^? states as well as the second wells of the B⁴Σ^?, 2²Σ⁺, 3²Σ⁺, 4²Π and 5²Π states were weakly bound, which well depths were less than 650 cm^?1; the B⁴Σ^?, 2²Σ⁺, 3²Σ⁺, 4²Π, 5²Π, and 2²Δ states had double wells and the second wells of these states except for B⁴Σ^? had only several vibrational states; the avoided crossings existed between the 2²Σ⁺ and 3²Σ⁺ states, the 3²Σ⁺ and 4²Σ⁺ states, the B⁴Σ^? and 3⁴Σ^? states, the 2²Δ and 3²Δ states, the 4²Π and 5²Π states, the 5²Π and 6²Π states, as well as the 2⁴Π and 3⁴Π states. The extrapolation scheme, core–valence correlation and scalar relativistic corrections were included. The spectroscopic parameters and vibrational properties were determined. The TDM curves between two different Λ–S states were calculated and Franck–Condon factors of some transitions were evaluated. The SOC effect on the spectroscopic and vibrational properties was evaluated.     

The evaluation of half-lives and other decay data used in nuclear astrophysics and cosmochronology

The current status of some decay data used in nuclear astrophysics and cosmochronology is presented. The half-life of ⁷⁹Se has been evaluated as 3.6(3) × 10⁵ yr. The total energy of non-neutrino radiation released in act of ³⁷Ar decay has been obtained being 2.709 (16) keV per disintegration. The recommended half-life values of the long-lived radionuclides (T _1/2 ≳ 10⁶ yr) of ²⁶Al, ⁴⁰K, ⁵³Mn, ⁶⁰Fe, ⁸⁷Rb, ⁹³Zr, ⁹⁸Tc, ¹⁰⁷Pd, ¹²⁹I, ¹³⁵Cs, ¹⁴⁶Sm, ¹⁷⁶Lu, ¹⁸²Hf, ¹⁸⁷Re, ²⁰⁵Pb, ²³²Th, ²³⁵U, ²³⁸U, ²⁴⁴Pu, and ²⁴⁷Cm are given based on the evaluations published until 2010.     

Electronic spectra of mono-substituted chromates

The electronic spectra of monosubstituted chromate ion derivatives, CrO₃X^-, where X^-=F^-, Cl^-, Br^- and IO₃ ^-, have been measured at liquid helium temperature, employing a variety of sample forms. The observed electronic transitions correlate simply and directly with those of CrO₄ ^2-, the lowest-lying transitions being only very weakly perturbed. Of particular interest is that the lowest excited state ¹ E^a retains the peculiarities of the ¹ T ₁ parent state of CrO₄ ^2-. The sharp line spectrum observed in Cr₂O₇ ^2- between 18 000 and 19 000 cm^-1 is identified as ¹ E^a (¹ T ₁ in T _d) ←¹ A ₁ in a single O₃CrO⁼ chromophore. It is suggested that the observed features of the low-lying absorption bands can be explained by assuming that two spin-triplet states [³ E, ³ A ₂] are located a few hundred wave numbers above the sharp 0-0 line of ¹ E^a ←¹ A ₁.     

The role of OH ions in the stabilization of F colour centres in LiF

Thermally Stimulated Depolarisation Current (TSDC) and optical methods are applied to a range of alkali-fluoride crystals in order to establish a model for the stable F ₂ ⁺ - like colour centres in LiF:OH^-. The experimental results for LiF:OH^- suggest that the OH^- defects are partially destroyed under ionising irradiation or during crystal growth. The low-temperature dielectric relaxation signals in LiF:OH^- and LiF:Mg²⁺,OH^- are attributed to highly interacting hydroxide ions and products of their destruction located in extended lattice defects. In LiF:OH^-, in contrast to other alkali halides, the results advocate for a defect-structure model, which considers a neutral defect (ND, probably O₂ or H₂) sited at the anion vacancy of the O^2--V _a ⁺ dipole and which possibly is the “nucleus” for the F ₂ ⁺ centre. The proposed F ₂ ⁺ (ND, O^-) model seems to better explain the dielectric results, compared to the older F ₂ ⁺ (O^2-) and F ₂ ⁺ (O^-) models. The estimate for the electric dipole moment derived from the experimental TSDC bands, gives a value for the F ₂ ⁺ - like centre in LiF:OH^- between those of the F ₂ ⁺ (O^-) and F ₂ ⁺ (O^2-) defects, in good agreement with the proposed F ₂ ⁺ (ND,O^-) model. The reduction of the activation energy barrier of the (re)orientation process of the Mg²⁺V _c ^- (OH^-) complexes in LiF:Mg²⁺,OH^-, and the low-temperature shift of their TSDC band, compared to the single Mg ₂ ⁺ V _c ^- peak in LiF:Mg²⁺, are tentatively ascribed to an increase in the crystal-lattice parameters owing to the presence of OH^- and/or products of its destruction. Received 31 August 2001 / Received in final form 30 March 2002 Published online 9 July 2002     

Infrared spectrum of HCN and HCN

The high-resolution spectrum of H¹²C¹⁴N has been measured near 4870 and 6060 cm⁻¹. The following bands have been identified and analyzed: 01¹2-00⁰0, 02⁰2-01¹0, 02²2-01¹0, 04⁰1-00⁰0, 11¹1-00⁰0, 12⁰1-01¹0, and 12²1-01¹0. The C---N stretching fundamental (ν₃) of H¹²C¹⁵N has also been measured near 2100 cm⁻¹. This fundamental is found to be 3 cm⁻¹ higher than previously reported. Other bands that have been identified in the H¹²C¹⁶N spectrum are 03¹0-00⁰0, 04⁰0-01¹0, 04²0-01¹0, and 01¹1-01¹0.     

Study of 122Te with charged particle reactions

The reactions ¹²²Te(d,d′)¹²²Te, ¹²³Te(d,t)¹²²Te, ¹²³Te(³He, ⁴He)¹²²Te, and ¹²¹Sb(³He,d)¹²²Te were measured with the Q3D magnetic spectrograph of the Munich Tandem Accelerator. The level scheme of ¹²²Te was extended up to about 4 MeV using also previous results and new ¹²²Te(γ,γ′)¹²²Te data. The level scheme is compared with IBA and QPM calculations. An intruder band is proposed with the 0⁺ band head at 1746 keV.     

The ν4 fundamental of three isotopic species of CF4

The vibration-rotation spectra of the ν₄ fundamental of ¹²CF₄, ¹³CF₄, and ¹⁴CF₄ have been observed with 0.06 cm^?1 resolution. A least squares fit of the data has been used to evaluate the pertinent molecular constants. The band centers are 631.199, 629.285, and 627.348 cm^?1 for ¹²CF₄, ¹³CF₄, and ¹⁴CF₄, respectively. The Coriolis constant ζ₄ has been estimated for the three isotopes.     

Effect of the Structure of Light Loosely Bound Nuclei on the Mechanisms of Nuclear Reactions

The results of experiments devoted to studying fusion and transfer reactions in beams of loosely bound (³He) and cluster (⁶Li, ⁷Li) nuclei, as well as nuclei that have a halo structure (⁶He and ⁸He), with nuclei of light and heavy elements are generalized. Special features in the behavior of cross sections for the formation of evaporation residues and transfer-reaction products at energies near the barrier are revealed. The behavior of cross sections for nucleon- and cluster-transfer reactions leads to different populations of single-particle and collective states in target-like nuclei. The effect of various channels of nuclear reactions involving light nuclei on the population of the ^195mHg and ^197mHg(13/2⁺), ^198mTl and ^196mTl(7⁺), and ^196mAu and ^198mAu(12⁻) pairs of isomeric states is considered. The values of the isomeric ratios (σ_m/σ_g) for reaction products originating from fusion reactions followed by particle evaporation and from nucleon-and cluster-transfer reactions are explained.

     

Measurement of the g-Factor of the 27− High-Spin Isomer State of 152Dy

The g-factor of the 27⁻ isomer state of ¹⁵²Dy has been measured using the Time-Integral Perturbed Angular Distribution (TIPAD) method. The high-spin states of ¹⁵²Dy have been populated by ¹⁴¹Pr(¹⁶O,p4n)¹⁵²Dy reaction at E = 115 MeV from the AVF cyclotron at CYRIC. The paramagnetic correction factor of Dy ions in Pr has been determined to be 4.2(5) by the Time-Differential Perturbed Angular Distribution (TDPAD) measurement of the 21⁻ state of ¹⁵²Dy. As a result, the g-factor of the 27⁻ isomer state of ¹⁵²Dy has been obtained to be +0.09(5). This shows the smaller value than the expected one of +0.39 deduced from a fully aligned configuration of π(h _11/2 ²) ⊗ ν(f _7/2 ² h _9/2 i _13/2).     

Study of the excited states of119Sn by the decay of119g+m In

The decay of^119g+m In to the excited states of¹¹⁹Sn was investigated.¹¹⁹In was produced by the¹²⁰Sn(γ,p)¹¹⁹In reaction on an enriched SnO₂ target. The isomeric transition of 311.25 keV to the¹¹⁹In ground state was observed. In the beta decay of^119m In excited states at 23.9, 920.5, 921.4, 1089.0, 1187.9 and 1249.6keV in¹¹⁹Sn withJ ^π values of 3/2⁺, 3/2⁺, 5/2⁺, 5/2⁺, 3/2⁺ and 1/2⁺ respectively, are fed. In the decay of the¹¹⁹In ground state only the 7/2⁺ level in¹¹⁹Sn at 787.0 keV is fed.     

Theoretical study of the spectroscopy of niobium nitride

State-averaged (SA) complete-active-space self-consistent-field (CASSCF) multireference configuration-interaction (MRCI) calculations are reported for the singlet and triplet states of NbN below about 20 000 cm⁻¹ and the quintet states below about 30 000 cm⁻¹. The theoretical spectroscopic constants for the four lowest triplet states, X³Δ, A³Σ⁻, B³Φ, and C³Π, are in excellent agreement with experiment. The calculations predict the ordering of states in the singlet manifold to be a¹Δ, b¹Σ⁺, c¹Γ, d¹Σ⁺, and e¹Π. These states have all been experimentally observed, except for the d¹Σ⁺ state near 13 000 cm⁻¹. The lowest quintet state, ⁵Π, is predicted to lie above 17 000 cm⁻¹. The calculations confirm the experimental conjecture, based on hyperfine splittings, that the X³Δ state is of predominantly 4dδ¹5s¹ character. Although the NbN molecule is very ionic, the ground-state dipole moment of 3.68 D is only moderately large, because of the polarization of the 5s electron away from nitrogen atom. Electronic transition moments are computed for all of the dipole-allowed transitions in the singlet and triplet manifolds. The radiative lifetimes for the v′ = 0 level are computed to be 37 ns, 35 ns, 1 μs, and 64 ns for the B³Φ, C³Π, d¹Σ⁺, and e¹Π states, respectively. For small v′, the largest Einstein coefficients all involve transitions with v′ = v″, because the transitions in NbN are nearly vertical. We constrast our results for NbN with similar calculations for the isoelectronic ZrO molecule. The considerable differences between the spectroscopy of ZrO and that of NbN are a result of the greater stability of the d orbitals for Nb, and the fact that Nb has a 4dⁿ⁺¹5s¹ ground state, whereas Zr has a 4dⁿ5s² ground state.     

Static quadrupole moments of the first excited states of 200Hg and 202Hg

The static quadrupole moments Q_2⁺ and B(E2; 0⁺ → 2⁺) values of the 2⁺ first excited states of ²⁰⁰Hg and ²⁰²Hg have been determined using the reorientation effect in Coulomb excitation. An annular silicon surface-barrier detector was used to detect backscattered ⁴He, ¹²C and ¹⁶O projectiles. It is found that for ²⁰⁰Hg, Q_2⁺ = +1.07 ± 0.19 e · b(+0.98 ± 0.19 e · b) for destructive (constructive) interference from the 2^+′ state, and B(E2; 0⁺ → 2⁺) = 0.853 ± 0.007 e² · b². For ²⁰²Hg, we find Q_2⁺ = +1.01 ± 0.13 e · b (+0.87 ± 0.13 e · b) and B(E2; 0⁺ → 2⁺) = 0.605 ± 0.005 e² · b². The Q_2⁺ value obtained for ²⁰⁰Hg is in agreement with previous work, but that for ²⁰²Hg is not. The results obtained are compared with the predictions of various nuclear models, and the mass dependence of Q_2⁺ in the region 182 ≦ A ≦ 206 is examined.     

Coulomb excitation studies of 160Dy, 162Dy and 164Dy

Coulomb excitation measurements with ¹⁶O and ⁴He projectiles have been performed on ¹⁶⁰Dy, ¹⁶²Dy, and ¹⁶⁴Dy. The ground-state rotational bands up through the 8⁺ member were observed in the ¹⁶O experiments. The measured excitation probabilities yield B(E2; I → I ?2) values which are generally in agreement with the rotational predictions except for the 6⁺ → 4⁺ values. In each nucleus, probabilities for exciting the 2⁺, 4⁺, and 6⁺ members of the γ-vibrational band were measured and compared with calculated results. The B (E2; 0⁺ → 2⁺γ) values were measured in experiments involving ⁴He ions. The K^π = 2^? octupole band was observed in each nucleus in addition to 1^? bands in ¹⁶⁰Dy and ¹⁶²Dy. Excitation probabilities were analyzed in an attempt to extract B(E3) values.     

The mass of the nucleus148Dy

Usingγγ coincidences theEC(K)/β ⁺ ratio for theβ decay¹⁴⁸Dy→¹⁴⁸Tb has been determined.¹⁴⁸Dy has been produced through the irradiation of⁹³Nb with 249 MeV⁵⁸Ni ions. The mass of¹⁴⁸Dy has been deduced. With the help of knownQα values the masses of¹⁵²Er,¹⁵⁶Yb,¹⁶⁰Hf and¹⁶⁴W have been obtained. The experimental masses are compared with different current mass formulae.     

Excited states of HCl

Ab initio CI calculations are presented for potential curves for the valence states of HCl, for the vertical electronic spectrum and for the potential curve for the B ¹Σ⁺ state. The valence ¹Π, ³Π and ³Σ⁺ states are found to be repulsive. Calculated vertical excitation energies are in good agreement with experiment. The B ¹Σ⁺ curve is predicted to have a double minimum.     

Alpha decay studies of neutron-deficient radium isotopes

Neutron-deficient isotopes of radium have been produced in the reactions³⁵Cl+¹⁷⁵Lu,⁴⁰Ar+^170,171Yb, and³⁶Ar+^170,171Yb and separated in-flight with a gas-filled recoil separator. The activities have been identified on the basis of correlated alpha decay chains. The alpha particle energy E_α and the half-life T_1/2 of an isomeric state of the new isotope,^203m Ra, have been determined to be (7615±20) keV and (33 _?10 ⁺²² ) ms, respectively. An assignment of another decay with E_α = (7577±20) keV and T_1/2=(1.1 _?0.5 ^+5.0 ) ms to^203g Ra is made on the basis of one observed three-decay chain. Tentative evidence for the production of the new isotope²⁰²Ra is also given. The values E_α = (7860±60) keV and T_1/2=(0.7 _?0.3 ^+3.3 ) ms were measured. Improved decay data have been obtained for²⁰⁴Ra. The results are E_α = (7484±10) keV and T_1/2=(59 _?9 ⁺¹² ) ms. Earlier findings concerning the decay of two states in²⁰⁵Ra and an isomer in²⁰⁷Ra have been confirmed. Approximate values for cross sections have been determined for²⁰²Ra, produced using the³⁶Ar+¹⁷⁰Yb reaction and for²⁰³Ra,²⁰⁴Ra, and²⁰⁵Ra using the³⁵Cl+¹⁷⁵Lu reaction. The results are 2 nb (²⁰²Ra), 4 nb (²⁰³Ra), 40 nb (²⁰⁴Ra), and 800 nb (²⁰⁵Ra).     

Electron stimulated desorption of condensed,branched alkanes

Electron stimulated desorption of H⁺, CH₃⁺, H₂⁺ and D⁺ has been measured as a function of excitation energy for condensed phase neopentane, tetramethylsilane, 2-methylpropane-1-d₁, and 2-methylpropane-2-d₁. The data show that the processes which result in both H⁺ and CH₃⁺ production are initiated by the same excitation. The excitations which produce H⁺, CH₃⁺ and H₂⁺ appear to be largely localized on the methyl groups. The results indicate that multi-electron (hole) final states are responsible for H⁺ and CH₃⁺ desorption.