Four complexes of compositions [Fe2（L^1）2]（1）, [Ni2（L^1）2]（2）, [Ni2（L^2）2]（3） and [Cu2（L^2）2]（4）（H2L^1 = 1-（（（2-hydroxy-2,3-dihydro-1 H-inden-1-yl）imino）methyl）naphthalen-2-ol, H2L^2 = 4-（（2-h...Four complexes of compositions [Fe2（L^1）2]（1）, [Ni2（L^1）2]（2）, [Ni2（L^2）2]（3） and [Cu2（L^2）2]（4）（H2L^1 = 1-（（（2-hydroxy-2,3-dihydro-1 H-inden-1-yl）imino）methyl）naphthalen-2-ol, H2L^2 = 4-（（2-hydroxy-2,3-dihydro-1 H-inden-1-yl）imino）pentan-2-one） were synthesized under solvothermal conditions. The structures of 1~4 were characterized by X-ray single-crystal diffraction analysis. The magnetic properties of these four complexes are investigated. The dc magnetic measurements indicate that the metal ions of 1, 2 and 3 are in the low spin state, revealing the strong ligand field character of 1-amino-2-indanol. This work provides an effective approach to coordination complexes possessing low spin state metal centers.展开更多
Silicate perovskites（（Mg, Fe）SiO 3 and CaS iO 3） are believed to be the major constituent minerals in the lower mantle. The phase relation, solid solution, spin state of iron and water solubility related to the lo...Silicate perovskites（（Mg, Fe）SiO 3 and CaS iO 3） are believed to be the major constituent minerals in the lower mantle. The phase relation, solid solution, spin state of iron and water solubility related to the lower mantle perovskite are of great effect on the geodynamics of the Earth＇s interior and on ore mineralization. Previous studies indicate that a large amount of iron coupled with aluminum can incorporate into magnesium perovskite, but this is discordant with the disproportionation of（Mg,Fe）SiO 3 perovskite into iron-free MgS i O3 perovskite and hexagonal phase（Mg0.6Fe0.4）SiO 3 in the Earth＇s lower mantle. MnS iO 3 is the first chemical component confirmed to form wide range solid solution with Ca SiO 3 perovskite and complete solid solution with MgS i O3 perovskite at the P-T conditions in the lower mantle, and addition of Mn Si O3 will strongly affects the mutual solubility between Mg Si O3 and CaS iO 3. The spin state of iron is deeply depends on the site occupation of the Fe3＋or Fe2＋, the synthesis and the annealing conditions of the sample. It seems that the spin state of Fe2＋ in the lower mantle perovskite can be settled as high spin, however, the existence of intermediate spin or low spin state of Fe2＋ in perovskite has not been clarified. Moreover, different results have also been reported for the spin state of Fe3＋ in perovskite. The water solubility of the lower mantle perovskite is related with its composition. In pure Mg SiO 3 perovskite, only less than 500 ppm water was reported. Al–Mg Si O3 perovskite or Al–Fe–MgS iO 3 perovskite in the lower mantle accommodates water of 1100 to 1800 ppm. Further experiments are necessary to clarify the detailed conditions for perovskite solid solution, to reliably analyze the valence and spin states of iron in the coexisting iron-bearing phases, and to compare the water solubility of different phases at different layers for deeply understanding the geodynamics of the Earth＇s interior and ore mineralization.展开更多
A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system...A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.展开更多
In this work, we analyze the positive parity of states of odd-A Eu isotopes within the framework of interacting boson fermion model （IBFM-1）. The result of an IBFM-1 multilevel calculation with the 3s1/2, 2d3/2, 2d5...In this work, we analyze the positive parity of states of odd-A Eu isotopes within the framework of interacting boson fermion model （IBFM-1）. The result of an IBFM-1 multilevel calculation with the 3s1/2, 2d3/2, 2d5/2, and 1g7/2 single panicle orbits is reported for the positive parity states of the odd-A Eu isotopes. A/so, an IBM-1 calculation is presented for the low-lying states in the even-even 152-154Sm core nucleus. The energy levels and B（E2） transition probabilities are calculated and compared with the experimental data. It is found that the calculated positive parity low spin state energy spectra of the odd-A Eu isotopes agree quite well with the experimental data.展开更多
By using a microscopic sdIBM-2+2q.p. approach which is the phenomenological core plus two-quasi-particle model and the experimental single-particle energies, the levels of the ground-band, β-band, γ-band, and partia...By using a microscopic sdIBM-2+2q.p. approach which is the phenomenological core plus two-quasi-particle model and the experimental single-particle energies, the levels of the ground-band, β-band, γ-band, and partial two-quasi-particle states on 64~68 Ge isotopes are successfully reproduced. Based on the phenomenological model and microscopic approach, it has been deduced that no s-boson in the nucleus is breaking up and aligning; and that when one d-boson does, the minimum aligned energy can be calculated. This paper explicitly indicates that, with the increase of neutron number, an evolution process of PPT objectes, i.e. from the two-quasi-proton states (on64Ge nucleus) to the two-quasi-neutron states (on 68Ge nucleus) may take place in even Ge isotopes.展开更多
The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by usin...The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconflguration characteristic of the X^2Π ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X^2 Π ground state was calculated to be 1814 cm^(-1), close to the experimental value 2070 cm^(-1). The spin-orbit coupling splitting energy of the ~2Π(II) exited state was predicted to be 766 cm^(-1). The transition dipole moments and Frank-Condon factors of the 3/2(III)-X3/2 and 1/2(III)-1/2(I) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.展开更多
The level structure in neutron-deficient nucleus 91Ru was investigated via the 58Ni(36Ar,2 plnγ)Ru reaction at a beam energy of 111 MeV.Charged particles,neutrons,and y-rays were emitted in this reaction and detected...The level structure in neutron-deficient nucleus 91Ru was investigated via the 58Ni(36Ar,2 plnγ)Ru reaction at a beam energy of 111 MeV.Charged particles,neutrons,and y-rays were emitted in this reaction and detected by the DIAMANT CsI ball,Neutron Wall,and the EXOGAM Ge clover array,respectively.In addition to the previously reported levels in 91Ru,new low-to-medium spin states were observed.Angular correlation and linear polarization measurements were performed to unambiguously determine spins and parities of the excited states in 91 Ru.The low-spin states of 91 Ru exhibit a scheme of multi-quasiparticle excitations,which is very similar to that of the neighboring N=47 isotone.These excitations have been interpreted in terms of the shell model.The calculations performed in the configuration space(p3/2,f5/2,p1/2,g9/2)reproduce the experimental excitation energies reasonably well,supporting the interpretation of the newly assigned positive-parity states in terms of the three quasiparticle configurationsπ(g9/2)^-2v(g9/2^-1 and v(g9/2)^-3.展开更多
基金Supported by the National Natural Science Foundation of China(21272167)Natural Science Foundation of Jiangsu Province(BK20171213)+1 种基金the Innovation of Graduate Student Training Project of Jiangsu Province(KYLX16_0109)the Priority Academic Program Development of Jiangsu Higher Education Institution
文摘Four complexes of compositions [Fe2（L^1）2]（1）, [Ni2（L^1）2]（2）, [Ni2（L^2）2]（3） and [Cu2（L^2）2]（4）（H2L^1 = 1-（（（2-hydroxy-2,3-dihydro-1 H-inden-1-yl）imino）methyl）naphthalen-2-ol, H2L^2 = 4-（（2-hydroxy-2,3-dihydro-1 H-inden-1-yl）imino）pentan-2-one） were synthesized under solvothermal conditions. The structures of 1~4 were characterized by X-ray single-crystal diffraction analysis. The magnetic properties of these four complexes are investigated. The dc magnetic measurements indicate that the metal ions of 1, 2 and 3 are in the low spin state, revealing the strong ligand field character of 1-amino-2-indanol. This work provides an effective approach to coordination complexes possessing low spin state metal centers.
基金partly supported by projects from JSPS KAKENHI (Grant No. 18340167)MEXT KAKENHI (Grant No. 20103002)+2 种基金NSFC (Grand No.90914002)China Geological Survey (Grant No. 1212011220926)the Ministry of Education of China (Grant No. 20130022110003)
文摘Silicate perovskites（（Mg, Fe）SiO 3 and CaS iO 3） are believed to be the major constituent minerals in the lower mantle. The phase relation, solid solution, spin state of iron and water solubility related to the lower mantle perovskite are of great effect on the geodynamics of the Earth＇s interior and on ore mineralization. Previous studies indicate that a large amount of iron coupled with aluminum can incorporate into magnesium perovskite, but this is discordant with the disproportionation of（Mg,Fe）SiO 3 perovskite into iron-free MgS i O3 perovskite and hexagonal phase（Mg0.6Fe0.4）SiO 3 in the Earth＇s lower mantle. MnS iO 3 is the first chemical component confirmed to form wide range solid solution with Ca SiO 3 perovskite and complete solid solution with MgS i O3 perovskite at the P-T conditions in the lower mantle, and addition of Mn Si O3 will strongly affects the mutual solubility between Mg Si O3 and CaS iO 3. The spin state of iron is deeply depends on the site occupation of the Fe3＋or Fe2＋, the synthesis and the annealing conditions of the sample. It seems that the spin state of Fe2＋ in the lower mantle perovskite can be settled as high spin, however, the existence of intermediate spin or low spin state of Fe2＋ in perovskite has not been clarified. Moreover, different results have also been reported for the spin state of Fe3＋ in perovskite. The water solubility of the lower mantle perovskite is related with its composition. In pure Mg SiO 3 perovskite, only less than 500 ppm water was reported. Al–Mg Si O3 perovskite or Al–Fe–MgS iO 3 perovskite in the lower mantle accommodates water of 1100 to 1800 ppm. Further experiments are necessary to clarify the detailed conditions for perovskite solid solution, to reliably analyze the valence and spin states of iron in the coexisting iron-bearing phases, and to compare the water solubility of different phases at different layers for deeply understanding the geodynamics of the Earth＇s interior and ore mineralization.
文摘A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.
基金Supported by the Research Foundation of Kirikkale University and the Scientific and Technological Research Council of Turkey under Grant Nos. BAP-2007-36 and TUBITAK-107T557
文摘In this work, we analyze the positive parity of states of odd-A Eu isotopes within the framework of interacting boson fermion model （IBFM-1）. The result of an IBFM-1 multilevel calculation with the 3s1/2, 2d3/2, 2d5/2, and 1g7/2 single panicle orbits is reported for the positive parity states of the odd-A Eu isotopes. A/so, an IBM-1 calculation is presented for the low-lying states in the even-even 152-154Sm core nucleus. The energy levels and B（E2） transition probabilities are calculated and compared with the experimental data. It is found that the calculated positive parity low spin state energy spectra of the odd-A Eu isotopes agree quite well with the experimental data.
基金Supported by the Science Foundation of the Science-Technology Department of Guizhou Province China (Grant No. Qian-ji-he-ji-zi [2002] 3025)
文摘By using a microscopic sdIBM-2+2q.p. approach which is the phenomenological core plus two-quasi-particle model and the experimental single-particle energies, the levels of the ground-band, β-band, γ-band, and partial two-quasi-particle states on 64~68 Ge isotopes are successfully reproduced. Based on the phenomenological model and microscopic approach, it has been deduced that no s-boson in the nucleus is breaking up and aligning; and that when one d-boson does, the minimum aligned energy can be calculated. This paper explicitly indicates that, with the increase of neutron number, an evolution process of PPT objectes, i.e. from the two-quasi-proton states (on64Ge nucleus) to the two-quasi-neutron states (on 68Ge nucleus) may take place in even Ge isotopes.
基金the National Basic Research Program of China(Grant No.2006CB601102)the National Natural Science Foundations of China(Grant Nos.20490210 and 20503001)
文摘The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconflguration characteristic of the X^2Π ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X^2 Π ground state was calculated to be 1814 cm^(-1), close to the experimental value 2070 cm^(-1). The spin-orbit coupling splitting energy of the ~2Π(II) exited state was predicted to be 766 cm^(-1). The transition dipole moments and Frank-Condon factors of the 3/2(III)-X3/2 and 1/2(III)-1/2(I) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.
基金Supported by National Natural Science Foundation of China(U1632137)
文摘The level structure in neutron-deficient nucleus 91Ru was investigated via the 58Ni(36Ar,2 plnγ)Ru reaction at a beam energy of 111 MeV.Charged particles,neutrons,and y-rays were emitted in this reaction and detected by the DIAMANT CsI ball,Neutron Wall,and the EXOGAM Ge clover array,respectively.In addition to the previously reported levels in 91Ru,new low-to-medium spin states were observed.Angular correlation and linear polarization measurements were performed to unambiguously determine spins and parities of the excited states in 91 Ru.The low-spin states of 91 Ru exhibit a scheme of multi-quasiparticle excitations,which is very similar to that of the neighboring N=47 isotone.These excitations have been interpreted in terms of the shell model.The calculations performed in the configuration space(p3/2,f5/2,p1/2,g9/2)reproduce the experimental excitation energies reasonably well,supporting the interpretation of the newly assigned positive-parity states in terms of the three quasiparticle configurationsπ(g9/2)^-2v(g9/2^-1 and v(g9/2)^-3.
