First observation of yrast band in odd-odd162Lu

High spin states of the odd-odd¹⁶²Lu nucleus have been studied via¹⁴⁷Sm(¹⁹F,4nγ)¹⁶²Lu reaction at 95 MeV beam energy. Level scheme for yrast band based onπ[h_11/2 v[i_13/2] quasiparticle configuration was established up to I ^π = (23^?) for the first time. This band shows the signature inversion in energy before backbending generally appeared in this mass region. It is stressed that the signature splitting in¹⁶²Lu is larger than that in the¹⁶⁰Tm nucleus.     

Yrast Band and Four-Quasiparticle Band in Odd-Odd 162Lu Nucleus

Both yrast and 4-quasiparticle bands in ¹⁶²Lu are established by using in-beam spectroscopy. It is shown that within the framework of cranking shell model,positive deformation can also lead to the low-spin signature inversion in the yrast band in Z=71 odd-odd ¹⁶²Lu nucleus.     

Loss of alignment gain in the πh 9/2[541 1/2−] ⊗ (νi 13/2)2 band in 167Tm and neighbouring odd-Z N = 98 nuclei

Theπh_9/2[541 1/2^?] band in ¹⁶⁷Tm has been studied through the ¹²⁴Sn(⁴⁸Ca, p4n)¹⁶⁷Tm reaction at E _beam = 210 MeV. The favoured signature of the πh_9/2[541 1/2^?] band is observed to spin 61/2h?. A remarkable small gain in aligned angular momentum at the AB-band crossing has been found. The crossing frequency and the gain in aligned angular momentum for ¹⁶⁷Tm are compared with data for the N = 98 isotones of Lu, Ta and Re, and contrasted with Cranked Shell Model predictions, based on frequency diabatic configurations. Large deviations are found for the gain in aligned angular momentum.     

High-spin states in odd-odd 168Lu

High-spin states of odd-odd ¹⁶⁸Lu were observed up to 18ħ for the first time using the ¹⁵⁹Tb(¹³C, 4nγ)¹⁶⁸Lu reaction at E _13C= 58.5 MeV. γ-γ coincidence, E _γ singles, excitation function, and the DCO ratios were measured. Two rotational bands with signature splitting were populated, among which the lower-energy band is identified as π 7/2⁺[404] ⊗ν 5/2⁺[642] in view of alignment and energy systematics. Received: 27 October 1997     

Statistical binary decay of35Cl+24Mg at ≈ 8 MeV/nucleon

High spin rotational bands in ¹⁶² Lu and ¹⁶⁴ Lu have been studied through the ¹³⁹ La( ²⁸ Si,5n) and ¹³⁹ La( ²⁹⁽³⁰⁾ Si,4(5)n) reactions respectively. For both nuclei the yrast sequence which is associated with the πh _11/2 ?νi _13/2 configuration shows the signature inversion feature.     

Ab initio study of the electronic structure of the molecule-based ferromagnet Co[N(CN)2]2

We have investigated the electronic and magnetic properties of the molecule-based magnet Co[N(CN)₂]₂ using the full potential linearized augmented plane wave (FP-LAPW) method. The relative stability of the ground state, density of states and charge distributions were examined. Total energy calculations reveals that the ferromagnetic phase is a stable ground state for Co[N(CN)₂]₂ in agreement with the previous experimental findings. It is noteworthy that we predict the Co[N(CN)₂]₂ is a ferromagnetic semiconductor with a small band gap of 0.027 eV, and the semiconductor property can be connected to the strong crystal field splitting of Co²⁺ 3d states for Co[N(CN)₂]₂. Such a molecule-based ferromagnetic semiconductor would offer a potential for semiconductor applications, therefore, an experimental confirmation of our theoretical predictions is encouraged.     

Optical,structural characterization and dielectric relaxation of [C2H5NH3]2ZnCl4 compound

ABSTRACT

The new organic-inorganic compound [C₂H₅NH₃]₂ZnCl₄ has been grown by the slow evaporation at room temperature. The zero-dimensional (0-D) structure for this compound was determined by the single X-ray diffraction. It crystallizes at room temperature in the non-centrosymmetric space group Pna2₁ and consists of ethylammonium cations [C₂H₅NH₃]⁺ and [ZnCl₄]^2? tetrahedra anions. That is interconnected by means of hydrogen bonding contacts N-H···Cl. The molecular geometry and vibrational frequencies of [ZnCl₄]^2? and [C₂H₅NH₃]⁺ in the ground state was calculated using density functional method (B3LYP) with 6–31G(d) and 6–311G (d,p) basis set. The optimized geometric bond lengths and bond angles, obtained by using B3LYP/6–311G (d,p), show the best agreement with the experimental data. The optical absorbance was measured in order to deduce the absorption coefficient α, optical band gap E_g. The optical band gap is determined by extrapolating the plotted graph of (αhυ)^1/2 vs. (hυ). The large value of indirect optical band gap energy indicates the insulating nature of this material. Moreover, the extinction coefficient, refractive index and the dielectric permittivity of [C₂H₅NH₃]₂ZnCl₄ compound were calculated and the results are discussed. The evolution of the dielectric loss as a function of frequency revealed a distribution of relaxation times, probably ascribed to the reorientational dynamics of alkyl chains in this compound, and then analyzed with the Cole–Cole formalism.     

High-spin states of rotational bands built upon νi13/2 in 166Lu

High-Spin states of odd-odd ¹⁶⁶Lu were populated using the ¹³⁹La(³⁰Si,3nγ)¹⁶⁶Lu at a beam energy of 120 MeV. Twelve new γ-rays were placed on top of the previously known two rotational bands built upon πg _7/2⊗νi _13/2 and πh _11/2⊗νi _13/2. Extending high-spin states up to 21⁺ and 25⁻ for each band, we have observed the onset of band crossing near ħω _c ≈ 0.35 MeV. The band crossing frequency of the yrast πh _11/2⊗νi _13/2 band is consistent with the neutron BC band crossing observed in lighter odd-odd Lu isotopes.     

A Double Isotopic Labelling Study of the Infrared Spectra of the Linkage Isomers [Pd(bipy)(SCN)2], [Pd(bipy)(NCS)2] and Related Complexes

Abstract

The IR spectra of the linkage isomers [Pd(bipy)(SCN)₂] and [Pd(bipy)(NCS)₂] have been determined in the C≡N stretching region (2200–2000 cm^?1) and below 500 cm^?1. The band shifts resulting from deuteration of the 2,2′-bipyridine (bipy) ring and ¹⁵NCS-labelling are shown to provide a ready means for distinguishing between the internal ligand modes, the μPd-N(bipy) and μPd-SCN/μPd-NCS vibrations. The assignment technique has been further extended to the complexes [Pt(bipy)(SCN)₂] and [Pd(phen)(SCN)₂] (phen = 1,10-phenanthroline). Finally, a comparison between the IR spectra of [Pd(bipy)(NCO)₂], [Pd(bipy)(NCS)₂] and [Pd(bipy)(SCN)₂] reveals that the frequencies μM-NCO, μM-NCS and μM-SCN decrease in the sequence NCO > NCS > SCN.     

Characterization of isomers of the nucleus154Pm

Consideration of the expected two-quasiparticle structures and their estimated band head energies, and the selection rules for beta transition rates for the¹⁵⁴Nd →¹⁵⁴Pm →¹⁵⁴Sm decays are used to deduce the configurations for the isomers and the low-spin structures in the neutron rich doubly odd nucleus ₆₁ ¹⁵⁴ Pm₉₃. The 2.68 m high spin isomer and the 1.73 m low spin isomer are respectively assigned the spin-parity 4⁺ and 1⁺ with the configuration {p:5/2⁻ [532↑] +n:3/2⁻ [521↑]} with the 2.68 m isomer lying lower in energy, and thus forming the¹⁵⁴Pm ground state. Two-quasiparticle character of the beta-connected states in¹⁵⁴Nd decay and¹⁵⁴Pm decay is discussed.     

Investigation into the rotational bands of 185Pt with the particle-rotor model

Theoretical calculations have been performed for the ν9/2⁺[624](i _13/2) and ν7/2⁻[503]( f _7/2) bands of ¹⁸⁵Pt in the framework of particle-rotor model. The band properties of signature splitting and configuration mixing have been analyzed. The level energy and signature splitting before the band crossing can be well interpreted by introducing triaxiality. The positive-parity yrast band is proposed to be dominated by the ν9/2⁺[624](i _13/2) component, while the negative-parity band shows strong mixing of ν7/2⁻[503](f _7/2) and ν9/2⁻[505](h _9/2) configurations.

     

Half-lives of the Tz=1/2 series nuclei, 81Zr and 85Mo

Excited states with spin larger than 5 were newly established in the ¹³²Cs nucleus via the ¹²⁴Sn(¹¹B,3n) reaction. Rotational bands built on the νh_11/2 ? πd_5/2, νh_11/2 ? πg_7/2 and νh_11/2 ? πh_11/2 configurations were observed up to spin I ～ 16. The νh_11/2 ? πh_11/2 band shows inverted signature splitting below I < 14. A dipole band was firstly observed in doubly odd Cs nuclei.     

Rotational bands in the doubly odd 130Cs nucleus

The band structures built on the 5^- isomeric state ( T _1/2 = 3.46 m) in the doubly odd ¹³⁰Cs nucleus have been established up to I = 24? via the ¹²⁴Sn(¹¹B, 5n)¹³⁰Cs reaction. The previously observed bands based on the πh _11/2⊗νh _11/2, πg _7/2⊗νh _11/2 and πd _5/2⊗νh _11/2 configurations and a positive-parity side band with multiple connections to the α = 0 signature partner of the yrast πh _11/2⊗νh _11/2 band have been extended to higher spins. A new band based on the πh _11/2⊗νg _7/2 configuration is observed. The yrast πh _11/2⊗νh _11/2 band exhibits anomalous signature splitting whose magnitude decreases up to spin 15 and then increases without restoring the normal signature splitting. Received: 20 February 2001 / Accepted: 9 May 2001     

Characterisation of synthetic trioctahedral micas by Mössbauer spectroscopy

Trioctahedral potassium micas |K}[M₃]〈T₄〉O₁₀(OH)₂ have been synthesized by hydrothermal techniques with various cationic substitutions in the octahedral and the tetrahedral sheet. Taking annite |K}[Fe ₃ ²⁺ ]〈AlSi₃〉O₁₀(OH)₂ as the reference mineral, [Fe²] was replaced by [Mg²] and [Ni²], 〈Al³⁺〉 by 〈Fe³⁺〉 and finally [Fe²⁺] + 〈Si⁴⁺〉 by [Al³⁺] + 〈Al³⁺〉. Mössbauer spectra were evaluated in terms of quadrupole splitting distributions (QSDs) using three generalized sites for 〈Fe³⁺〉, [Fe³⁺] and [Fe²]. Annites, nominally free of 〈Fe³⁺〉, show a lower limit of [Fe³⁺]/Fe _tot of 0.10, which stabilizes the structure. The ferrous iron, [Fe²], QSD consists of two main components. In some of the solid solution series, there is strong experimental evidence for a third ferrous component, particularly at higher [Al³⁺] contents. This third component is centered at low quadrupole splittings and may be assigned to a defect [Fe²] site, forming 1:2 structures with two neighbouring trivalent octahedral cations. For charge compensation one OH^? is replaced by O^2? for each [M³⁺] cation. The ferrous QSDs vary systematically with chemical composition. Compared to those of annite, the QSD parameters (mean quadrupole splitting 〈QS〉 and quadrupole splitting with maximum probability, QS _peak ) are shifted towards higher values with increasing [Mg²] and [Ni²] contents, and decrease slightly with increasing content of trivalent cations. These trends can be interpreted in terms of changes in the local environment around the Fe probe nucleus, i.e., in terms of decreasing or increasing distortions from the ideal octahedral configurations.     

High-spin states in odd-odd 168Lu

High-spin states in the odd-odd ¹⁶⁸Lu nucleus, populated in the ¹⁵⁴Sm(¹⁹F,5n) reaction at a beam energy of 96 MeV, were investigated using in-beam γ-ray spectroscopy techniques. The BC neutron crossing in the yrast band, based on πg _7/2[404]7/2⁺⊗νi _13/2[642]5/2⁺ configuration, occurs at ħω= 0.31 MeV. The two side bands, based on πh _11/2[514]9/2⁻⊗νi _13/2[642]5/2⁺ and πh _9/2[541]1/2⁻⊗νi _13/2[642]5/2⁺ configurations, show anomalous signature-splitting and signature-inversion in the first one, to occur at ħω= 0.24 MeV. A moderately delayed BC-crossing is anticipated in the second one. Received: 15 June 1998 / Revised version: 11 January 1999     

Hypersensitivity in the 4f–4f absorption spectra of tris (acetylacetonato) neodymium(III) complexes with imidazole and pyrazole in non-aqueous solutions. Effect of environment on hypersensitive transitions

The optical absorption spectra of [Nd(acac)₃(H₂O)₂]·H₂O, [Nd(acac)₃(im)₂] and [Nd(acac)₃(pz)₂] (where acac is the anion of acetylacetone, im is imidazole and pz is pyrazole) complexes in the visible region have been analyzed. The transition ⁴G_5/2←⁴I_9/2 located near the middle of the visible region (17,500 cm^?1) is hypersensitive. Its behavior is in sharp contrast to many other typically weak and consistently unvaried, normal 4f–4f transitions. It is overlapped by a less intense transition ²G_7/2←⁴I_9/2. The band shapes of the hypersensitive transition show remarkable changes on passing from aqueous solution to various non-aqueous solutions, which is the result of changes in the environment about the Nd(III) ion in the various solutions and suggests coordination of a solvent molecules. Pyridine has been found especially effective in promoting 4f–4f electric-dipole intensity. The DMSO invades the complexes and replaces the water molecules and heterocyclic amines from the coordination sphere. Two DMSO molecules coordinate and the complexes acquire similar structure, [Nd(acac)₃(DMSO)₂] in solution. The oscillator strength and the band shape of the hypersensitive transition of all the complexes remains the same in this solvent. The IR spectra and the NMR spectra of the complexes have also discussed.     

Properties of the 3/2−[521] band in the odd-N rare-earth nuclei

High-spin states in ¹⁶¹Er have been studied experimentally via the ¹⁵⁰Nd(¹⁶O, 5n) reaction at a beam energy of 86 MeV. Three rotational bands built on the 5/2⁺[642], 3/2⁻[521], and 11/2⁻[505] configurations have been extended up to high-spin states, and particularly, the α = −1/2 branch of the ground state 3/2⁻[521] band has been revised significantly. It is found that signature inversion occurs in the 3/2⁻[521] band after the band crossing in ¹⁶¹Er. The systematics of the signature inversion associated with the 3/2⁻[521] configuration in the rare-earth region is discussed. The band properties are analyzed within the framework of a triaxial particle-rotor model, and a triaxial deformation is proposed to the 3/2⁻[521] band.

     

Characterization of Ir(ppy)3 and [Ir(ppy)2 bpy]+ by infrared,Raman spectra and surface‐enhanced Raman scattering

The Raman and infrared spectra of fac ‐tris(2‐phenylpyridinato‐N,C2′)iridium(III), Ir(ppy)₃ and surface‐enhanced resonance Raman spectra of bis(2‐phenyl pyridinato‐) (2,2′bipyridine) iridium (III), [Ir(ppy)₂ (bpy)]⁺ cation were recorded in the wavenumber range 150–1700 cm⁻¹, and complete vibrational analyses of Ir(ppy)₃ and [Ir(ppy)₂ (bpy)]⁺ were performed. Most of the vibrational wavenumbers were calculated with density‐functional theory agree with experimental data. On the basis of the results of calculation and comparison of the spectra of both complexes and their analogue [Ru(bpy)₃]²⁺, we assign the vibrational wavenumbers for metal–ligand modes; metal–ligand stretching wavenumbers are 277/307 and 261/236 cm⁻¹ for Ir(ppy)₃, and 311/324, 257/270, 199/245 cm⁻¹ for [Ir(ppy)₂ bpy]⁺. Surface‐enhanced Raman scattering spectra of [Ir(ppy)₂ bpy]²⁺ were measured at two wavelengths on the red and blue edges of the low‐energy metal‐to‐ligand charge‐transfer band. According to the enhanced Raman intensities for the vibrational modes of both ligands ppy and bpy, the unresolved charge‐transfer band is deduced to consist of charge‐transfer transitions from the triplet metal to both ligands ppy and bpy. Copyright © 2010 John Wiley & Sons, Ltd.     

Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12

The electric field gradient (EFG) tensor at the aluminum nucleus sites in yttrium-aluminum garnet Y₃Al₅O₁₂ is calculated using the Hartree-Fock method and the nonempirical cluster approach. It is shown that the EFG tensor at the Al_tetr sites is described well taking into account the nearest neighbors (an [AlO₄]^?5 cluster), whereas for the Al_oct sites the effect of more distant ions is important. The results are compared with the available experimental data and the results of band calculations.     

High spin spectroscopy in odd-odd 170Lu

High-spin states in doubly odd ¹⁷⁰Lu have been studied through the ¹⁶⁰Gd(¹⁴N, 4nγ) fusion-evaporation reaction at a beam energy of 68 MeV. γγ-coincidences, Eγ,Iγ and angular distribution are measured. For the first time a high-spin level scheme consisting of three rotational structures is proposed. In the πh_9/2Θvp_3/2 yrast band, the (ab) neutron crossing occurs at a rotational frequency of ≈0.27 MeV. This is indicative of the partial disappearance of the blocking effect of the odd neutron. Another signature-split πh_9/2Θvi13/2 band exhibits normal signature-dependence and delayed (bc) neutron crossing is anticipated to occur at h?ω > 0.39 MeV in this structure.