A new coordination polymer [Ni（L）（m-bix）（H2O）]n （1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis（imidazol-1-ylmethyl）-benzene） has been synthesized by the hydrothermal method and characterized by IR, element...A new coordination polymer [Ni（L）（m-bix）（H2O）]n （1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis（imidazol-1-ylmethyl）-benzene） has been synthesized by the hydrothermal method and characterized by IR, elemental analysis, powder XRD and single-crystal X-ray analysis. The crystal is of triclinic, space group Pī with a = 9.1638（3）, b = 10.2319（3）, c = 13.2463（4） ？, α = 80.1710（10）, β = 83.671（2）, γ = 70.3790（10）o,C22H19NiIN4O5, Mr = 605.02, V = 1150.85（6） ？3, Dc = 1.746 g/cm3, F（000） = 600, μ = 2.225 mm-1, S = 1.045 and Z = 2. The final R = 0.0388 and wR = 0.1257 for 5089 observed reflections with I 〉 2σ（I）. In the title complex, the M and P layers are arranged alternately to give a double-layer structure by the symmetry related hydrogen bonds, and these double-layers are further joined together to achieve a 2D supramolecular architecture through I···π interaction involving iodine atoms and imidazole rings. The thermal stability of the title complex was studied by thermal gravimetric （TG） and differential thermal analysis （DTA）.展开更多
Let R be a ring and I an ideal of R. A ring R is called I-semi-π--regular if R/I is π-regular and idempotents of R can be strongly lifted modulo I. Characterizations of I-semi-π-regular rings are given and relation...Let R be a ring and I an ideal of R. A ring R is called I-semi-π--regular if R/I is π-regular and idempotents of R can be strongly lifted modulo I. Characterizations of I-semi-π-regular rings are given and relations between semi-π-regular rings and semiregular rings are explored.展开更多
Recently,AnstÖter and co-workers[J.Am.Chem.Soc.141,6132(2019)]have provided the first photoelectron spectroscopic determination of the anion-πbond strength(De)using iodide-hexafluorobenzene(I-·C6F6)as the a...Recently,AnstÖter and co-workers[J.Am.Chem.Soc.141,6132(2019)]have provided the first photoelectron spectroscopic determination of the anion-πbond strength(De)using iodide-hexafluorobenzene(I-·C6F6)as the archetypical system.In combination with an equation-of-motion coupled cluster theory,namely EOM-IP-CCSD(d T),using Dunning’s aug-cc-p VDZ(a VDZ)basis set,Dein I-·C6F6 was found to be-0.53 e V with an uncertainty less than±0.03 e V.The interaction was claimed to arise for a large part from correlation forces(41%)with only a 23%contribution from electrostatic forces.In the present work,we performed the coupled-cluster with single and double and perturbative triple excitations,CCSD(T),calculations.We found that CCSD(T)/a VDZ can have an uncertainty up to 0.113 e V due to the basis set incompleteness.Our calculations disclosed that the previous calculations on the electrostatic contribution are concealed by the contributions from the exchange and Pauli repulsion.The electrostatic contribution is actually determinant,being more than double of the correlation contribution in the I-·C6F6 complex at the equilibrium binding distance.展开更多
A new one-dimensional mixed-valence Cu（Ⅰ）/Cu（Ⅱ） complex [Cu（bipy）（Me2dtc）CuI2]n 1 （bipy = 2,2′-bipyridine and Me2dtc = N,N-dimethyldithiocarbamate） has been synthesized under solution condition, and chara...A new one-dimensional mixed-valence Cu（Ⅰ）/Cu（Ⅱ） complex [Cu（bipy）（Me2dtc）CuI2]n 1 （bipy = 2,2′-bipyridine and Me2dtc = N,N-dimethyldithiocarbamate） has been synthesized under solution condition, and characterized by elemental analysis, IR spectrum, single-crystal X-ray diffraction and magnetic property. The crystal belongs to the tetragonal system, space group P4122 with a = b = 11.6504（16）, c = 13.466（3） A, V = 1827.8（5） A^3, Z = 4, Dc = 2.389 g/cm^3, Mr = 657.27, λ（MoKa） = 0.71073 , μ = 5.931 mm·1, F（000） = 1236, the final R = 0.0483 and wR = 0.1245. A total of 2102 unique reflections were collected, of which 2009 with I 〉 2σ（I） were observed. 1 consists of polymeric [Cu^II2]nn^- anions and [Cu^II（bipy）（Me2dtc）]^＋ cations. It is interesting that the cations of 1 interact through π-π stacking interactions after rotating 90° to form one-dimensional chains parallel to the anion chains. The magnetic study indicates antiferromagnetic behavior for this complex.展开更多
The spin polarized β-emitting nuclei12B (I π=1+,T 1/2=20.18 ms) were produced by the nuclear reaction11B(d, p)12B and by the selection technique of the incident deuteron energy and the12B recoil angle following the ...The spin polarized β-emitting nuclei12B (I π=1+,T 1/2=20.18 ms) were produced by the nuclear reaction11B(d, p)12B and by the selection technique of the incident deuteron energy and the12B recoil angle following the nuclear reaction. The nuclear magnetic moment of the short-lived nuclei12B was measured by β-NMR with the β-NMR and β-NQR setup established for the first time in China. The nuclear magnetic moment of12B was determined to be μ=0.99993±0.00048 nm org=0.99993±0.00048 after the precise correction of the Knight shift.展开更多
基金Supported by the National Natural Science Foundation of China(21171119,11574408,81573822,21376008)the Beijing Natural Science Foundation(2172017)+1 种基金the Fundamental Research Funds for the Central Universities in China University of Geosciences(2-9-2021-008)the R&D Program of Beijing Municipal Education Commission(KM202210028015)。
基金supported by the International Technology Cooperation Project of Science and Technology Department of Henan Province(No.124300510050)
文摘A new coordination polymer [Ni（L）（m-bix）（H2O）]n （1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis（imidazol-1-ylmethyl）-benzene） has been synthesized by the hydrothermal method and characterized by IR, elemental analysis, powder XRD and single-crystal X-ray analysis. The crystal is of triclinic, space group Pī with a = 9.1638（3）, b = 10.2319（3）, c = 13.2463（4） ？, α = 80.1710（10）, β = 83.671（2）, γ = 70.3790（10）o,C22H19NiIN4O5, Mr = 605.02, V = 1150.85（6） ？3, Dc = 1.746 g/cm3, F（000） = 600, μ = 2.225 mm-1, S = 1.045 and Z = 2. The final R = 0.0388 and wR = 0.1257 for 5089 observed reflections with I 〉 2σ（I）. In the title complex, the M and P layers are arranged alternately to give a double-layer structure by the symmetry related hydrogen bonds, and these double-layers are further joined together to achieve a 2D supramolecular architecture through I···π interaction involving iodine atoms and imidazole rings. The thermal stability of the title complex was studied by thermal gravimetric （TG） and differential thermal analysis （DTA）.
基金Foundation item:This work is partially supported by the NNSF(10171011)of Chinathe NNSF(10571026)of Chinathe Teaching and Research Award Program for Outstanding Young Teachers in Higher Education Institutes of MOE,P.R.C.
文摘Let R be a ring and I an ideal of R. A ring R is called I-semi-π--regular if R/I is π-regular and idempotents of R can be strongly lifted modulo I. Characterizations of I-semi-π-regular rings are given and relations between semi-π-regular rings and semiregular rings are explored.
基金supported by the National Natural Science Foundation of China(No.21688102 and No.91027044)。
文摘Recently,AnstÖter and co-workers[J.Am.Chem.Soc.141,6132(2019)]have provided the first photoelectron spectroscopic determination of the anion-πbond strength(De)using iodide-hexafluorobenzene(I-·C6F6)as the archetypical system.In combination with an equation-of-motion coupled cluster theory,namely EOM-IP-CCSD(d T),using Dunning’s aug-cc-p VDZ(a VDZ)basis set,Dein I-·C6F6 was found to be-0.53 e V with an uncertainty less than±0.03 e V.The interaction was claimed to arise for a large part from correlation forces(41%)with only a 23%contribution from electrostatic forces.In the present work,we performed the coupled-cluster with single and double and perturbative triple excitations,CCSD(T),calculations.We found that CCSD(T)/a VDZ can have an uncertainty up to 0.113 e V due to the basis set incompleteness.Our calculations disclosed that the previous calculations on the electrostatic contribution are concealed by the contributions from the exchange and Pauli repulsion.The electrostatic contribution is actually determinant,being more than double of the correlation contribution in the I-·C6F6 complex at the equilibrium binding distance.
基金Supported by the National High Technology Research and Development Program of China (863 Program, No. 2009AA03Z217)the National Natural Science Foundation of China (No. 90922028)+1 种基金the Young Talent Program of Fujian Province (No. 2007F3060)the Fund of Fujian Provincial Key Laboratory of Nanomaterials (No. NM10-5)
文摘A new one-dimensional mixed-valence Cu（Ⅰ）/Cu（Ⅱ） complex [Cu（bipy）（Me2dtc）CuI2]n 1 （bipy = 2,2′-bipyridine and Me2dtc = N,N-dimethyldithiocarbamate） has been synthesized under solution condition, and characterized by elemental analysis, IR spectrum, single-crystal X-ray diffraction and magnetic property. The crystal belongs to the tetragonal system, space group P4122 with a = b = 11.6504（16）, c = 13.466（3） A, V = 1827.8（5） A^3, Z = 4, Dc = 2.389 g/cm^3, Mr = 657.27, λ（MoKa） = 0.71073 , μ = 5.931 mm·1, F（000） = 1236, the final R = 0.0483 and wR = 0.1245. A total of 2102 unique reflections were collected, of which 2009 with I 〉 2σ（I） were observed. 1 consists of polymeric [Cu^II2]nn^- anions and [Cu^II（bipy）（Me2dtc）]^＋ cations. It is interesting that the cations of 1 interact through π-π stacking interactions after rotating 90° to form one-dimensional chains parallel to the anion chains. The magnetic study indicates antiferromagnetic behavior for this complex.
基金This work was supported by the National Natural Science Foundation of China(Grant No.10175088)also partially supported by the Japan Society for the Promotion of Science for the Joint Research Project under the Japan-China Scientific cooperation program.
文摘The spin polarized β-emitting nuclei12B (I π=1+,T 1/2=20.18 ms) were produced by the nuclear reaction11B(d, p)12B and by the selection technique of the incident deuteron energy and the12B recoil angle following the nuclear reaction. The nuclear magnetic moment of the short-lived nuclei12B was measured by β-NMR with the β-NMR and β-NQR setup established for the first time in China. The nuclear magnetic moment of12B was determined to be μ=0.99993±0.00048 nm org=0.99993±0.00048 after the precise correction of the Knight shift.
