149 resultados para High-spin moleclules


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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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On the basis of the spin and valence state equilibria and superexchange interaction of the various cobalt ions in LaCoO3, an approximate semiempirical formula has been proposed and used to calculate magnetic susceptibilities of LaCoO3 over a wide temperature range (100-1200 K). The results indicate that there are thermodynamic equilibria between the low spin state Co(III) (t2g6e(g)0) ion, the high spin state Co3+ (t2g4e(g)2) ion, the Co(II) (t2g6e(g)1) ion and the Co(IV) (t2g5e(g)0) ion in LaCoO3. The energy difference between the low spin state Co(III) and the high spin state Co3+ is about 0.006 eV. The content of the low spin state Co(III) ion is predominant in LaCoO3 and the content of the high spin state Co3+ ion varies with temperature, reaching a maximum at about 350 K, then decreasing gradually with increasing temperature. At low temperature the contents of the Co(II) ion and the Co(IV) ion in LaCoO3 are negligible, while above 200 K the contents of both the Co(II) ion and the Co(IV) ion increase with increasing temperature; however, the content of the Co(II) ion always is larger than that of the Co(IV) ion at any temperature. These calculated results are in good agreement with experimental results of the Mossbauer effect, magnetic susceptibility and electrical conductivity of LaCoO3.

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A metal-encapsulating silicon fullerene, Eu@Si-20, has been predicted by density functional theory to be by far the most stable fullerene-like silicon structure. The Eu@Si-20 structure is a dodecahedron with D-2h symmetry in which the europium atom occupies the center site. The calculated results show that the europium atom has a large magnetic moment of nearly 7.0 Bohr magnetons. In addition, it was found that a stable "pearl necklace" nanowire, constructed by concatenating a series of Eu@Si-20 units, with the central europium atom, retains the high spin moment. The magnetic structure of the nanowire indicates potential applications in the fields of spintronics and high-density magnetic storage.

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High-spin levels of 189Pt have been studied with the in-beam γ-spectroscopy method via the 176Yb(18O,5n) reaction at the beam energies of 88 and 95 MeV. The previously known νi-131/2 band has been confirmed, and its unfavored signature branch extended up to the 13/2+ state. Within the framework of the triaxial particle-rotor model, the νi-113/2 band is suggested to be associated with the 11/2[615] configuration, and to have triaxial deformation.

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High-spin states of 165Er were studied using the 160Gd(9Be, 4n)reaction at beam energies of 42 and 45 MeV. The previously known bands based on the ν5/2-[523] and ν5/2+[642] configurations have been extended to high-spin states. Electric-dipole transitions linking these two opposite parity bands were observed. Relatively large B(E1) values have been extracted experimentally and were attributed to octupole softness.