Potential energy of <Superscript>∞</Superscript>H<Stack><Subscript>2</Subscript><Superscript>-</Superscript></Stack>(<Superscript>2</Superscript>∑<Stack><Subscript>u</Subscript><Superscript>+</Superscript></Stack> in the bound-state region

An accurate calculation of the lowest negative electronic state of H ₂ ^- (fixed nuclei) is reported using the CCSD(T) method and doubly augmented cc-pv5z basis set. Comparison has been made with the reference data by Senekowitsch et al. [Chem. Phys. Lett. 111 (1984) 211]. Owing to larger size of the basisset and inclusion of triple excitations, no vertical shift in this work is necessary to reproduce the asymptotics of H + H ^-. In addition, the effect of basis-set truncation is estimated, based on the complete-basis-set extrapolation method. The contribution of correlated electron-proton motion to the electron-energy curve for H₂ ^– dynamics is pointed out.Dedicated to Prof. Jií Horáek on the occasion of his 60th birthday.     

Stereodynamics of the reaction He+H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> → HeH<Superscript>+</Superscript> + H: a theoretical study

Quasiclassical trajectory method for the title reaction He +H₂⁺ → HeH⁺ + H was carried out on the potential energy surface which was revised by Aquilanti et al. [Chem. Phys. Lett. 469, 26 (2009)]. The initial vibrational quantum number of reactant was set as v=1, v=2 and v=3. Stereodynamics information of the reaction was obtained, such as the distributions of product angular momentum P(θ _r ), P(ϕ _r ),p(ϕ _r , θ _r ) and the two commonly used polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ ₀₀/dω _t ) and (2π/σ)(dσ ₂₀/dω _t ), to get the alignment and orientation of product molecules. The results show that the influence of both the collision energy and vibrational quantum number (v) to the reaction are highly sensitive.     

O<Subscript>2</Subscript> photodesorption from AuO<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack> and Au<Subscript>2</Subscript>O<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack>

Using time-resolved photoelectron spectroscopy, the decay channels of AuO₂⁻ and Au₂O₂⁻ following photoexcitation with 3.1-eV photons have been studied. For AuO₂⁻, a state with a rather long lifetime of 30 ps has been identified. Its decay path could not be determined but photodesorption can be excluded. For Au₂O₂⁻, the spectra indicate O₂ desorption after 3.1-eV photoexcitation on a time scale of 1 ps. While comparing these results on Au _n O₂⁻ with analogous data on Ag _n O₂⁻ clusters, a discernible pattern emerges: for dissociatively bound O₂(AuO₂⁻, Ag₃O₂⁻), there are long-living excited states which do not decay by oxygen desorption, while for molecular chemisorption (Au₂O₂⁻, Ag₂O₂⁻, Ag₄O₂⁻, Ag₈O₂⁻), the 3.1-eV photoexcitation triggers fast O₂ desorption with a high quantum yield.     

Absorption spectrum of H<Stack><Subscript>3</Subscript><Superscript>+</Superscript></Stack> near 1.06 μm

The absorption spectra of molecular hydrogen plasma excited by electric hollow-cathode and high-frequency discharges are measured. The spectra in the region of 1.06 μm were recorded using a neodymium intracavity laser spectrometer with a resolution of 0.03 cm^?1 and an absorption sensitivity of 10^?8 cm^?1. The absorption lines that can be attributed to the transitions to vibrational states in the molecule are recorded.     

Laser control of the low-temperature <Emphasis Type="Italic">e</Emphasis><Superscript>−</Superscript>+O<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> reaction

The dissociative recombination theory of slow electrons with molecular ions in a strong monochromatic light field is developed. Classifications of all possible transitions and reaction mechanisms are presented. The potential energy curves of the oxygen molecule O₂^** dissociative states and partial cross sections are calculated.     

On the energy of the 8<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack> 1479-keV level in <Superscript>178</Superscript>Hf

The difference in the 332-and 326-keV transition energies from ¹⁷⁸Ta decay is measured with a magnetic β spectrometer and a γ spectrometer. The energy of the 332-keV transition (E(332) = 331 607 ± 4 eV) and the energy of the 8 ₂ ^? 1479-keV level in ¹⁷⁸Hf (E(1479) = 1479001 ± 6 eV) are determined with high accuracy.     

Effective three-body interactions in the α-cluster model for the <Superscript>12</Superscript>C nucleus

Properties of the lowest 0⁺ states of ¹²C are calculated to study the role of three-body interactions in the α-cluster model. An additional short-range part of the local three-body potential is introduced to incorporate the effects beyond the α-cluster model. There is enough freedom in this potential to reproduce the experimental values of the ground-state and excited-state energies and the ground-state root-mean-square radius. The calculations reveal two principal choices of the two-body and three-body potentials. Firstly, one can adjust the potentials to obtain the width of the excited 0₂⁺ state and the monopole 0₂⁺↦0₁⁺ transition matrix element in good agreement with the experimental data. In this case, the three-body potential has strong short-range attraction supporting a narrow resonance above the 0₂⁺ state, the excited-state wave function contains a significant short-range component, and the excited-state root-mean-square radius is comparable to that of the ground state. Next, rejecting the solutions with an additional narrow resonance, one finds that the excited-state width and the monopole transition matrix element are insensitive to the choice of the potentials and both values exceed the experimental ones.     

CO<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack> radicals in synthetic hydroxyapatite

Powders of the B-type synthetic apatite exposed to gamma or ultraviolet irradiation were investigated using EPR spectroscopy. It was shown that ultraviolet irradiation leads to the appearance of the EPR spectrum near g = 2, which is similar to the spectrum observed upon gamma irradiation. The decomposition of the EPR spectra into components and the simulation of the shape of the experimental EPR signals revealed that these signals are associated primarily with two types of CO ₂ ^? radicals, namely, the axial CO ₂ ^? radicals and the orthorhombic CO ₂ ^? radicals. The differences in the shapes of the EPR spectra of the samples exposed to gamma and ultraviolet irradiation were explained by different ratios between the axial and orthorhombic CO ₂ ^? radicals. It was established that thermal annealing results in an increase in the relative contribution to the total EPR spectrum. This increase was explained by the transformation of the orthorhombic radicals into the axial radicals.     

Hyperfine Interactions in Pb<Superscript>3+</Superscript>F<Stack><Subscript>8</Subscript><Superscript>−</Superscript></Stack>F<Stack><Subscript>a</Subscript><Superscript>−</Superscript></Stack> clusters in fluorite crystals

The parameters of hyperfine interactions in Pb³⁺F ₈ ^? F _a ^? tetragonal clusters of MeF₂ crystals (Me=Ca, Sr, Ba) are interpreted. The contributions of the spin polarization to the parameters of the proper hyperfine interaction and additional (ligand) hyperfine interactions are calculated in the approximation of weak binding between a charge-compensating ion F _a ^? and a cubic fragment in the tetragonal cluster. It is demonstrated that correct inclusion of the contributions from the spin polarization to the ligand isotropic hyperfine interaction for the F _a ^? ion leads to anomalously large parameters of this interaction for MeF₂ crystals. These results are in agreement with experimental data.     

“Alpha decays” of <Stack><Subscript>Λ</Subscript><Superscript>10</Superscript></Stack>Be and <Stack><Subscript>Λ</Subscript><Superscript>10</Superscript></Stack>B hypernuclei: Phenomenological analysis and role of nuclear structure

Hypernuclei are used to study the baryon-baryon weak interaction and associated effective weak Hamiltonian. We will show how the proper choice of hypernucleus can be used to pick out components of the effective weak Hamiltonian. It is well known that removing one nucleon from ⁹Be or ⁹B results in ⁸Be* with a subsequent αα decay. Through this unique process, it would be possible to identify final states of the residual nucleus. So, due to these specific properties of the core nuclei ⁹Be and ⁹B, it may be possible to measure the branching fractions Γ _ααi ^n(p) for the exclusive decays of the _Λ ¹⁰ Be ( _Λ ¹⁰ B) hypernuclei.     

Laser control of low-temperature reaction <Emphasis Type="Italic">e</Emphasis><Superscript>−</Superscript> + O<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

A theory is developed to describe dissociative recombination of a slow electron with a ground-state molecular ion of oxygen driven by a strong monochromatic electromagnetic field. Mathematically, the theory is based on the time-independent formalism of radiative scattering matrix whose poles correspond to dressed intermediate states of the complex. The analysis embraces both transitions to dissociative states and laserinduced nonadiabatic transitions to intermediate bound states of valence configurations. Key reaction mechanisms are considered, and a classification is given of all allowed transitions to dissociative states. Partial and total reaction cross sections are calculated by taking into account the contributions from Rydberg, valence, and dissociative states of O₂^**. A detailed discussion of results is presented, and feasibility of laser control of the reaction is demonstrated.     

Spectroscopic characteristics of anionic centers in α-Al<Subscript>2</Subscript>O<Subscript>3</Subscript> crystals bombarded by Cu<Superscript>+</Superscript> and Ti<Superscript>+</Superscript> ions

We have studied the effect of bombardment by Cu⁺ and Ti⁺ ions with energy 30 keV on the optical absorption and luminescence of F centers in oxygen-deficient aluminum oxide. We have shown that in the induced optical absorption spectra there are six components of gaussian shape, which can be assigned to absorption bands of F⁺, F², and F₂⁺ centers. We have established that bombardment of the samples by ion beams has a weak effect on the thermoluminescence parameters in the 3.0 eV and 2.4 eV bands, while in the 3.8 eV luminescence band for F⁺ centers, the thermoluminescent response increases considerably. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 3, pp. 422–424, May–June, 2008.     

Two-neutrino positron double-beta decay of <Superscript>106</Superscript>Cd for the 0<Superscript>+</Superscript> → 0<Superscript>+</Superscript> transition

The two-neutrino positron double-beta decay of ¹⁰⁶Cd for the 0 ⁺ 0⁺ transition has been studied in the Hartree-Fock-Bogoliubov model in conjunction with the summation method. In the first step, the reliability of the intrinsic wave functions of ¹⁰⁶Cd and ¹⁰⁶Pd nuclei has been tested by comparing the theoretically calculated results for yrast spectra, reduced B(E2: 0⁺ 2⁺) transition probabilities, quadrupole moments Q(2⁺) and gyromagnetic factors g(2⁺) with the available experimental data. In the second step, the nuclear transition matrix element M₂ and the half-life T_1/2² for the 0 ⁺ 0⁺ transition have been calculated with these wave functions. Moreover, we have studied the effect of deformation on the nuclear transition matrix element M₂.     

Origin of the structural local transition in the molecular impurity ion MnO<Stack><Subscript>4</Subscript><Superscript>2−</Superscript></Stack> in the K<Subscript>3</Subscript>Na(CrO<Subscript>4</Subscript>)<Subscript>2</Subscript> ferroelastic

A new model is proposed for a local transition in a Jahn-Teller impurity center in a crystal with a ferroelastic (ferroelectric) phase transition. This model is based on direct interaction of the order parameter of the phase transition in the matrix with the Jahn-Teller impurity degrees of freedom. It is shown that, under these conditions, the order parameter field can induce lifting of degeneracy of the electronic states active in the Jahn-Teller effect, which is accompanied by a transition from the Jahn-Teller effect to the pseudo-Jahn-Teller effect with its subsequent suppression. As a result, a decrease in temperature gives rise to a structural local transition in the region of the low-symmetry ferroelastic (ferroelectric) matrix phase from the many-well local adiabatic to a single-well potential. The model proposed allows interpretation of experimental data obtained in an EPR study of the molecular impurity ion MnO ₄ ^2? in the K₃Na(CrO₄)₂ ferroelastic.     

On the delay mechanism of Cl<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack> diatomic anion dissociation up to the microsecond timescale

The dissociative capture of slow electrons by tetrachlorethylene (C₂Cl₄) has been investigated by resonant electron capture negative ion mass spectrometry. Metastable ions with fractional mass numbers 7.5, 17.5, and 19 corresponding to the C₂Cl₄⁻ → Cl⁻ + C₂Cl₃ and Cl₂⁻ → Cl⁻ + Cl decays occurring at the microsecond timescale have been detected. It has been revealed that Cl₂⁻ anions, which are fragment ions, can dissociate at the microsecond timescale, which is very surprising for a system with one internal degree of freedom. This process is assumingly attributed to the rotational excitation of Cl₂⁻ anions. Thus, the experimental estimate of the time of rovibronic relaxation in the Cl₂⁻ anion has been obtained.     

Neutron-induced molecular defect O<Stack><Subscript>2</Subscript><Superscript>−</Superscript></Stack> in beryllium orthogermanate

Be₂GeO₄ polycrystalline samples preliminarily irradiated by fast neutrons (E ～ 1 MeV, Φ = 4.5 × 10¹⁷ cm^?2) were studied by photoluminescence spectroscopy using synchrotron radiation pulses for excitation. The neutron-induced luminescence band observed at 1.7 eV in the spectra of the irradiated samples is assigned to the radiative relaxation of a molecular ion O ₂ ^? . The luminescence of these defects in the Be₂GeO₄ structure is effectively excited by 4.7-and 5.2-eV photons. At low temperatures (10 K), the profiles of the photoluminescence and excitation bands have a fine structure characteristic of electron-vibration interactions. The vibration frequencies for the ground state (v₁ = 161 cm^?1) and two excited states (v₂ = 672 cm^?1 and v₃ = 887?1451 cm^?1) were measured. Potential curves of the energy states of the O ₂ ^? center are constructed in terms of the Morse model using the experimental data. The optical spectrum fine structure is shown to be predominantly due to intrinsic vibrations of the molecular defect.     

Spectroscopy of the <Stack><Subscript>Λ</Subscript><Superscript>7</Superscript></Stack>He nucleus in a three-cluster model

The _Λ ⁷ He hypernucleus is considered within the _Λ ⁵ He + n + n cluster model. The hyperon—nucleon interaction is described by a one-boson-exchange potential that is constructed on the basis of the NSC97f model. Phenomenological potentials are used to describe the αΛ and αN interactions. For the _Λ ⁵ Hen interaction, use is made of the folding-model potential. The calculations of the hyperon binding energy in the ground state of the _Λ ⁷ He hypernucleus on the basis of Faddeev equations in configuration space yield a result (5.35 MeV) that agrees well with preliminary experimental data (5.4 MeV). The problem of calculating the hyperon binding energy within the three-body approach is discussed. In calculating the energy spectrum of _Λ ⁷ He, use is made of a version of the method of analytic continuation in the coupling constant. Low-lying excited states of this nucleus can be classified as an analog of the corresponding states of the ⁶He nucleus with allowance for the clustering of the _Λ ⁵ He+n+n system in the ⁶He(J ^π)+Λ(s) form.     

The evaluation of the branching ratios of the decays φ(1020)→2π<Superscript>+</Superscript>2π<Superscript>−</Superscript>π<Superscript>0</Superscript>, π<Superscript>+</Superscript>π<Superscript>−</Superscript>3π<Superscript>0</Superscript>

Combining the Okubo-Zweig-Iizuka rule in the decay φ→ρπ→π⁺π^?π⁰ with the ρ→4π decay amplitudes, we calculate the φ→2π⁺2π^?π⁰ and φ→π⁺π^?3π⁰ ones. The partial widths of the above φ decays are evaluated, and the excitation curves in e⁺e^? annihilation are obtained, assuming reasonable particular relations among the parameters characterizing the anomalous terms of the HLS Lagrangian. The evaluated branching ratios B_φ→π⁺_π^?_3π⁰ ≈ 2 × 10^?7 and B_φ→2π⁺_2π^?_π⁰ ≈ 7 × 10^?7 are such that, with the luminosity L=500 pb^?1 attained at DAΦNE φ factory, one may already possess about 1685 events of the decays φ→5π.     

Accurate characterisation of the C(3)<Superscript>1</Superscript>Σ<Superscript>+</Superscript> state of the NaRb molecule

We present a first detailed experimental study of the C(3)¹Σ⁺ state of the NaRb molecule converging to the Na(3p) + Rb(5s) states of separated atoms. Two different high resolution spectroscopic methods have been applied: the Fourier transform spectroscopy of laser induced fluorescence and the V-type optical-optical double resonance polarization labeling spectroscopy. The entire data field for the C¹Σ⁺ state of Na⁸⁵Rb and Na⁸⁷Rb consists of rovibrational levels with v'=0–64 and J'=4–123. The data were incorporated into a direct fit of a single potential energy curve to the level energies using the Inverted Perturbation Approach method. As the experimental data extend to the “shelf" region of the potential at large internuclear separations of 8.5 ?, the C state's suitability for photoassociation yielding cold heteronuclear NaRb is discussed. Electronic supplementary material Online Material