A New High-Spin Level Scheme of I-128

High-spin states in the odd-odd nucleus I-128 are investigated via the Sn-124(Li-7,3n)I-128 reaction at 28 and 32 MeV beam energies. A new level scheme of I-128 is established up to high-spin states at I-pi = 16, including 48 levels and 72 gamma transitions. The present level scheme is largely different from the one in a recent publication due to identification of several doublet and triplet gamma transitions and their proper placements in the level scheme. The high-spin level structure exhibits no obvious collective properties and is possibly associated with two and multi-quasiparticle configurations.

~(139)Pm高自旋态的实验研究；Experimental observation of high spin states in ~(139)Pm nucleus

通过重离子核反应116Cd(27Al,4n)与在束γ谱的实验技术,对A=130~140核区的奇A核139Pm的高自旋态进行了研究.根据γ-γ符合关系、γ射线的相对强度和各向异性度的测量结果,扩展并更新了139Pm的能级纲图.实验观测到基于πh11/2和πg7/2-[πh11/2]2(或者πd5/2-[πh11/2]2)组态的转动带,利用已有的理论计算结果对这些转动带进行了解释.同时还观测到三个具有很强M1跃迁、旋称劈裂很小的-I=1的带.通过简单分析和系统学比较,指认了它们的组态,发现它们具备磁转动带的特性,很可能是磁转动带.

High-spin states and collective band structures in the odd-odd Pm-140 nucleus

The high-spin states of Pm-140 have been investigated through the reaction Te-126(F-19, 5n) at a beam energy of 90 MeV. A previous level scheme based on the 8(-) isomer has been updated with spin up to 23 (h) over bar. A total of 22 new levels and 41 new transitions were identified. Six collective bands were observed. Five of them were expanded or re-constructed, and one of them was newly identified. The systematic signature splitting and inversion of the yrast pi h(11/2)circle times vh(11/2) band in Pr and Pm odd-odd isotopes has been discussed. Based on the systematic comparison, two Delta I = 2 bands were proposed as double-decoupled bands; other two bands with strong Delta I = 1 M1 transitions inside the bands were suggested as oblate bands with gamma similar to -60 degrees; another band with large signature splitting has been proposed with oblate-triaxial deformation with gamma similar to -90 degrees. The characteristics for these bands have been discussed.

Two-Step Spin-Transition Iron(III) Compound with a Wide [High Spin-Low Spin] Plateau

A new iron(III) coordination compound exhibiting a two-step spin-transition behavior with a remarkably wide [HS-LS] plateau of about 45 K has been synthesized from a hydrazino Schiff-base ligand with an N,N,O donor set, namely 2-methoxy-6-(pyridine-2-ylhydrazonomethyl) phenol (Hmph). The single-crystal X-ray structure of the coordination compound {[Fe(mph)(2)](ClO4)(MeOH)(0.5)(H2O)(0.5)}(2) (1) determined at 150 K reveals the presence of two slightly different iron(III) centers in pseudo-octahedral environments generated by two deprotonated tridentate mph ligands. The presence of hydrogen bonding interactions, instigated by the well-designed ligand, may justify the occurrence of the abrupt transitions. 1 has been characterized by temperature-dependent magnetic susceptibility measurements, EPR spectroscopy, differential scanning calorimetry, and Fe-51 Mossbauer spectroscopy, which all confirm the occurrence of a two-step transition. In addition, the iron(III) species in the high-spin state has been trapped and characterized by rapid cooling EPR studies.

A rule to design high spin molecules with hetero-spin centers

The series of biradicals with m-phenylene coupling unit and hetero-spin centers were calculated compared with those possessing home-spin centers using AM1-CI method. A simple rule was proposed to design high spin molecules with ferromagnetic coupling unit and hetero-spin centers. Two neutral (or charged) hetero-spin centers resulted in high spin ground state, one neutral and another charged hetero-spin centers correspond to low spin ground state. The latter was ascribed to the huge splitting of two partially occupied molecular orbitals.

The intermolecular coupling through space for stacked high spin molecules

Intermolecular ferromagnetic interactions in two stacking models for the dimer of high spin molecules are investigated by means of AM1-CI approach. It is shown that the stability of high spin ground state versus low spin state can be simply traced back to the number and the extent of atoms with reversed signs of pi-spin density in neighboring molecules coupled to each other in shortest distance.

Structure of upper-g(9/2)-shell nuclei and shape effect in the Ag-94 isomeric states

Using a shell model which is capable of describing the spectra of upper g(9/2)-shell nuclei close to the N = Z line, we study the structure of two isomeric states 7(+) and 21(+) in the odd-odd N = Z nucleus Ag-94. It is found that both isomeric states exhibit a large collectivity. The 7(+) state is oblately deformed, and is suggested to be a shape isomer in nature. The 21(+) state becomes isomeric because of level inversion of the 19(+) and 21(+) states due to core excitations across the N = Z = 50 shell gap. Calculation of spectroscopic quadrupole moment indicates clearly an enhancement in these states due to the core excitations. However, the present shell model calculation that produces the 19(+)-21(+) level inversion cannot accept the large-deformation picture of Mukha et al.

Effect of configuration and conformation on the spin multiplicity in xylylene type biradicals

The singlet-triplet splitting energy gap DeltaE(S.T) = E-S - E-T is calculated for the ortho-, meta-, and para-xylylenes and their heteroatomic analogous by means of AM1-CI approach. It is shown that when the radical centers R-.(R-.=H2C.-,H2N.+- or HN.-) are twisted sufficiently Tar out of conjugation with the benzene ring, DeltaE(S.T) tends to zero or is negative, i.e, ortho-, meta-, and para-phenylenes turn into weak ferromagnetic or antiferromagnetic coupling unit, while they are strong ferromagnetic (meta-isomers) or antiferromagnetic (ortho-, para-isomers) coupling units under planar conformation. It is suggested that serious twisted conformation is not recommended candidate for the design of novel high-spin molecules with stable high-spin ground states by ortho- or para-phenylene coupling unit.

Competition in rotation-alignment between high-j neutrons and protons in transfermium nuclei

The study of rotation-alignment of quasiparticles probes sensitively the properties of high-j intruder orbits. The distribution of very-high-j orbits, which are consequences of the fundamental spin-orbit interaction, links with the important question of single-particle levels in superheavy nuclei. With the deformed single-particle states generated by the standard Nilsson potential, we perform Projected Shell Model calculations for transfermium nuclei where detailed spectroscopy experiments are currently possible. Specifically, we study the systematical behavior of rotation-alignment and associated band-crossing phenomenon in Cf, Fm, and No isotopes. Neutrons and protons from the high-j orbits are found to compete strongly in rotation-alignment, which gives rise to testable effects. Observation of these effects will provide direct information on the single-particle states in the heaviest nuclear mass region.

Isospin symmetry breaking at high spins in the mirror pair Se-67 and As-67

Recent experimental data have revealed large mirror energy differences (MED) between high-spin states in the mirror nuclei Se-67 and As-67, the heaviest pair where MED have been determined so far. The MED are generally attributed to the isospin symmetry breaking caused by the Coulomb force and by the isospin-nonconserving part of the nucleon-nucleon residual interaction. The different contributions of the various terms have been extensively studied in the fp shell. By employing large-scale shell-model calculations, we show that the inclusion of the g(9/2) orbit causes interference between the electromagnetic spin-orbit and the Coulomb monopole radial terms at high spin. The large MED are attributed to the aligned proton pair excitations from the p(3/2) and f(5/2) orbits to the g(9/2) orbit. The relation of the MED to deformation is discussed.

Two-quasiparticle K-isomeric states in strongly deformed neutron-rich Nd and Sm isotopes: a projected shell-model analysis

Motivated by recent spectroscopy data from fission experiments, we apply the projected shell model to study systematically the structure of strongly deformed, neutron-rich, even-even Nd and Sm isotopes with neutron number from 94 to 100. We perform calculations for rotational bands up to spin I = 20 and analyze the band structure of low-lying states with quasiparticle excitations, with emphasis given to rotational bands based on various negative-parity two-quasiparticle (2-qp) isomers. Experimentally known isomers in these isotopes are described well. The calculations further predict proton 2-qp bands based on a 5(-) and a 7(-) isomer and neutron 2-qp bands based on a 4(-) and an 8(-) isomer. The properties for the yrast line are discussed, and quantities to test the predictions are suggested for future experiment.

Using triazine as coupling unit for intramolecular ferromagnetic coupling of multiradicals

Novel high spin tri-, tetra-, pentaradicals, composed of triazine coupling units and cationic amino radical spin centers (+ . NH) under various configurations and linkages, are predicted from AM1-CI calculations. It is found that for charged planar multiradicals the stability of high spin ground states depends on both the molecular configuration and the number of end groups. Generally, cyclic 1,3-bridged charged multiradicals (S less than or equal to 5/2) possess more stable high spin ground states than their isomers under the branched 1,3,5,-bridged configuration. Therefore, it is suggested that in the design of planar high spin molecules with stable high spin ground states, less end groups and all the supposed spin centers and/or the coupling units should be under the same structural situation. (C) 1999 Elsevier Science B.V. All rights reserved.

Structures and vibrational spectra of C-2 and LaC2+ clusters

C-2 and LaC2+ were studied using Hartree-Fock(HF), B3LYP (Becke 3-paremeter-Lee-Yang-Parr) density functional method, second-order Moller-Plesset perturbation (MP2) and coupled cluster singles and doubles with non-iterative triples(CCSD(T)) methods. The basis set employed was LANL1DZ. Geometries, vibrational frequencies and other quantities were reported. The results showed that for C-2, all the methods performed well for low spin state (singlet), while only HF and B3LYP remained so for high spin state (triplet). For LaC2+, four isomers were presented and fully optimized. The results suggested that linear isomers with C-infinity v and D-infinity h symmetries were predicted to be saddle points on the energy surface for all the methods, while for isomers with C-2 upsilon and C-s symmetries, they were local minima except C-2 upsilon at B3LYP level, and were isoenergetic at HF, MP2 and CCSD(T) levels, near isoenergetic at B3LYP level. From the differences between HOMO and LUMO, it is also known that the isomers with C-2 upsilon and C-s symmetries offer the largest values and therefore correspond to the most stable structure. For La-C bond lengths, B3LYP gives the shortest, the order is B3LYP