Production cross sections of the superheavy nucleus 117 based on the dinuclear system model

Within the framework of the dinuclear system model, the capture of two colliding nuclei, and the formation and de-excitation process of a compound nucleus are described by using an empirical coupled channel model, solving the master equation numerically and the statistical evaporation model, respectively. In the process of heavy-ion capture and fusion to synthesize superheavy nuclei, the barrier distribution function is introduced and averaging collision orientations are considered. Based on this model, the production cross sections of the cold fusion system ^76-82Se＋^209Bi and the hot fusion systems ^55Mn＋^238U, ^51V＋^244pu, ^59Co＋^232Th, ^48Ca＋^247-249Bk and ^45Sc＋^246-248Cm are calculated. The isotopic dependence of the largest production cross sections is analyzed briefly, and the optimal projectile-target combination and excitation energy of the 1n-4n evaporation channels are proposed. It is shown that the hot fusion systems ^48Ca＋^247-249Bk in the 3n evaporation channels and ^45Sc＋248Cm in the 2n-4n channels are optimal for synthesizing the superheavy element 117.

Study of the dinuclear system for^(296)119 superheavy compound nucleus in fusion reactions

This investigation aims to find an appropriate dinuclear system for the formation of^(296)119 superheavy compound nucleus.By studying the driving potential and measuring the capture cross section of the reactions,the evolution of the dinuclear system can be understood.In this study,we obtained capture,fusion,and evaporation residue cross sections and survival probability at energies near the Coulomb barrier for four reactions,namely ^(45)Sc+^(251)Cf,^(42)Ca+^(254)Es,^(39)K+^(297)Fm,and ^(38)Ar+^(258)Md.Our caleulations show that the reaction 38Ar+258 Md is a suitable choice for the formation of an element with 119 protons among the studied reactions from a the-oretical viewpoint.

Angular Anisotropy of the Fission Fragments in the Dinuclear System Model

A theoretical evaluation of the collective excitation spectra of nucleus at large deformations is possible within the framework of the dinuclear system(DNS) model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two-cluster configurations in a dynamical way, permitting exchange of nucleons between clusters. In this work the method of calculation of the potential energy and the collective spectrum of fissioning nucleus at scission point is presented. Combining the DNS model calculations and the statistical model of fission we calculate the angular distribution of fission fragments for the neutron–induced fission of239 Pu.

Systematics on production of superheavy nuclei Z=119-122 in fusion-evaporation reactions

The fusion dynamics of the formation of super-heavy nuclei were investigated thoroughly within the din-uclear system model.The Monte Carlo approach was implemented in the nucleon transfer process to include all possible orientations,at which the dinuclear system is assumed to be formed at the touching configuration of dinuclear fragments.The production cross sections of superheavy nuclei Cn,Fl,Lv,Ts,and Og were calculated and compared with the available data from Dubna.The evaporation residue excitation functions in the channels of pure neutrons and charged particles were systematically analyzed.The combinations of 44 Sc,48;50 Ti,49;51 V,52;54 Cr,58;62 Fe,and 62;64 Ni bombarding the actinide nuclides 238 U,244 Pu,248 Cm,247;249 Bk,249;251 Cf,252 Es,and 243 Am were calculated to produce the superheavy elements with Z¼119?122.We obtained that the production cross sections sensitively depend on the neutron richness of the reaction system.The structure of the evaporation residue excitation function is related to the neutron separation energy and fission barrier of the compound nucleus.

Tuning beneficial calcineurin phosphatase activation to counterα-synuclein toxicity in a yeast model of Parkinson’s disease

Calcineurin(CN)is a calcium-and calmodulindependent serine/threonine that has been studied in many model organisms including yeast,filamentous fungi,plants,and mammals.Its biological functions range from ion homeostasis and virulence in lower eukaryotes to T-cell activation in humans by human nuclear factors of activated T-cells.CN is a heterodimeric protein consisting of a catalytic subunit,calcineurin A(Cna1p),which contains an active site with a dinuclear metal center,and a regulatory Ca^(2+) binding subunit called calcineurin B(Cnb1p)required to activate Cna1p.The calcineurin B subunit has been highly conserved through evolution:For example,the mammalian calcineurin B shows 54%identity with calcineurin B from Saccharomyces cerevisiae.

Mixed-solvothermal Synthesis, Crystal Structure and Luminescence of a New Dinuclear Yttrium(Ⅲ) Coordination Polymer with 1-D Wave-like Infinite Chains

A new dinuclear Y（3＋） coordination polymer{[Y2（H2O）2（C（14）H8O4）3（C（12）H8N2）2]·3 H2O}n （1, C（14）H8 O4 = 2,2＇-biphenyldicarboxylate, phen = 1,10-phenanthroline）, has been obtained by means of a mixed-solvothermal method using ethylene glycol and water as solvent. The compound was characterized by elemental analysis, energy-dispersive X-ray spectroscopy（EDS）, IR spectrum and single-crystal X-ray diffraction. The results reveal that 1 belongs to monoclinic system, space group C2/c with a = 24.249（3）, b = 12.069（48）, c = 22.7304（08） A, β = 113.480（7）°, Z = 4, V = 6102（2） A3, Dc = 1.462 g·cm^-3, F（000） = 2728, μ = 1.968 mm（-1）, the final R = 0.0673, w R = 0.1508 and S = 1.085. Its structure can be regarded as a 1-D coordination polymer constructed by Y^3＋ cations, 2,2A-biphenyldicarboxylate, 1,10-phenanthroline and water molecules. The compound not only contains two kinds of organic ligands, but also exhibits interesting wave-like infinite chains and 18-MR windows with the diameter of 4.070（7）A × 5.326（9）A. The structure is further stabilized by means of O–H…O hydrogen bonds and π-π stacking interactions. Furthermore, the luminescent properties（including emission spectrum, CIE chromaticity coordinate and decay curve） of 1 were also investigated in the solid-state at room temperature.

Hydrothermal Synthesis,Crystal Structure and Thermal Analysis of a Dinuclear Complex Cd_2(3,5-Dinitrobenzoate)_4(pyridine)_4

A dinuclear complex Cd2（dnba）4（pyridine）4 （dnba = 3,5-dinitrobenzoate） has been synthesized by hydrothermal method and characterized by X-ray single-crystal diffraction, elemental analysis, FT-IR spectroscopy, DSC and TG-DTG techniques. The complex with empirical formula C48H32Cd2NI2024 （Mr = 692.83） crystallizes in monoclinic, space group P21/n with a - 12.0344（14）, b = 10.5752（13）, c = 21.578（3） A, β = 104.150（2）°, V = 2662.8（6） A^3, Z = 2, D, = 1.728 g/cm^3,μ（MoKa） = 0.897 mm^-1, F（000） = 1384, S = 1.016 and （△/σ）max = 0.001. R = 0.0638 and wR = 0.0737 for all data; the final R = 0.0337 and wR = 0.0644. In this complex, four carboxylates are bidentate-or chelate-coordinated with the Cd（Ⅱ） centers to give the dinuclear structure. The other coordination positions of Cd（Ⅱ） are occupied by the lone pair electrons from N of four pyridines. Thermal analyses DSC and TG-DTG have been used to determine the thermal decomposition mechanism of the title complex.

A New Dinuclear Zinc Polymer Based on 3-Methoxy-2-hydroxybenzaldehyde:Synthesis,Structure,Spectral Characterization and Hirshfeld Surface Analysis

A highly efficient fluorescence material dinuclear zinc polymer [Zn2（mhbd）2（dca）2]n （1, Hmhbd is 3-methoxy-2-hydroxybenzaldehyde, dca is N（CN）2？） has been synthesized under room temperature and structurally characterized by elemental analysis, IR, and single-crystal X-ray diffraction. The structure belongs to the triclinic system, space group P with a = 8.475（1）, b = 9.595（1）, c = 15.001（1） A, α = 86.84（1）, β = 81.10（1）, γ = 68.78（1）°, Mr = 565.15, V = 1123.5（1） ？3, Dc = 1.671 g？cm–3, F（000） = 568, μ = 2.185 mm–1, R = 0.0451, and wR = 0.1297. 1 is a dinuclear zinc complex which further constructs a 1D chain through double μ1,5-dca bridge. Luminescent property and Hirshfeld surface analysis of 1 have been studied. The result indicates that the fluorescence intensity of complex 1 is forty-one times the fluorescence intensity of Hmhbd ligand.

Synthesis, Crystal Structure, Fluorescence, Thermal Stability and Magnetic Properties of the Dinuclear Manganese(Ⅱ) Complex [Mn_2(L)_2(2,2'-bipy)_2(H_2O)_5]_2·3H_2O

A new dinuclear manganese complex [Mn2（L）2（2,2＇-bipy）2（H2O）512·3H2O has been synthesized with MnSO4·H2O, 2,2＇-bibenzoic acid （H2L） and 2,2＇-bipyridine（2,2＇-bipy） in the mixed solvent ethanol and water. It crystallizes in monoclinic, space group Pi with a = 9.9944（10）, b = 21.939（2）, c = 25.628（3） A, a = 108.429（3）, β = 100.613（4）, 7 = 102.821（3）°, V = 4997.9（9） A3, Dc= 1.355 g/cm^3, Z = 2, F（000） = 2108, GOOF = 1.074, the R= 0.0626 and wR= 0.1531. The structure of the complex contains two [Mn2（L）2（2,2＇-bipy）2] units, ten coordinated H2O molecules and three uncoordinated H2O molecules. The fluorescence, thermal stability and magnetic properties of the complex were investigated.

Crystal Structure,Fluorescence and Thermal Stability Properties of a Dinuclear Copper(Ⅱ) Complex[Cu_2(L)_2(phen)_2]-5H_2O(H_2L = Bicycle[2.2.1]hept-2-en-5,6-dicarboxylic acid)

A new dinuclear copper（II） complex [Cu2（L）2（phen）2]·5H2O （1） with bicycle[2.2.1 ]hept- 2-en-5, 6-dicarboxylic acid （H2L） and 1,10-phenanthroline （phen） as ligands has been synthesized in the mixed solvents of ethanol and water. It crystallizes in the monoclinic space group P21/c, with a = 17.925（4）, b = 19.908（4）, c = 11.235（2） A, β = 97.65（3）°, V= 3973.4（14） A3, Dc = 1.552 g/cm^3, Z = 8, F（000） = 1910, the final GOOF = 1.056, R= 0.0519 and wR= 0.1293. The crystal structure shows that the whole molecule consists of two independent dinuclear units, in which two copper ions are bridged by twoμ2-η1 ：η0-3-carboxylate groups of L^2- anions. The fluorescence and thermal stability properties of 1 were studied. The results show that 1 has an intense fluorescent emission at around 381 rim. The TG analysis shows that I is stable below 143 ℃.

Synthesis and Crystal Structure of a New Dinuclear Manganese(Ⅱ) Manganese(Ⅲ) Complex of a Macrocyclic Ligand

A mixed-valence dinuclear manganese complex, [Mn ⅡMn ⅢL](ClO 4)·1/2MeOH, where L is a macrocyclic ligand derived from the cyclocondensation of sodium 2,6-diformyl-4-methylphenolate with N,N-bis(2-aminoethyl)-2-hydroxybenzyl amine, was obtained and its structure was determined by X-ray diffraction. The orange crystal is a monoclinic system with space group P2 1/c and lattice parameters a=1.1617(4), b=1.4005(3), c=1.4641(3) nm, β=113.03(2)°, and Z=2. The crystal structure shows that each pendant-arm is bonded in a bidentate fashion to the adjacent metal atom and that both the arms are on the same side of the macrocycle. The two Mn atoms are bridged by two μ 2-phenoxy oxygen atoms of the tetra-imine macrocycle, and each Mn atom, locating in a trigonal prismatic coordination environment(N 3O 3), is six-coordinated by the two imine nitrogen atoms, one tertiary nitrogen atom and a pendant phenol moiety apart from the two oxygen atoms.

Hydrothermal Synthesis and Crystal Structure of a Novel Dinuclear Co(Ⅱ) Complex:[Co2(2,2'-bpy)_2(μ-L)_2(L)_2(μ-H_2O)](HL=4-Chlorobenzoic Acid)

A new 4-chlorobenzoic acid bridge Co（Ⅱ ） complex [[Co2（2,2＇-bpy）2（μ-L）e（L）2（μ-H2O）] （HL = 4-chlorobenzoic acid） has been obtained by hydrothermal synthesis, and X-ray single-crystal diffraction analysis shows that it crystallizes in the monoclinic system, space group C2/c with a = 22.537（5）, b = 16.212（3）, c = 15.306（3） A, β= 124.37（3）°, V= 4616.1（16）A3, Mr = 1070.45, Dc = 1.540 g/cm3, Z = 4, p = 1.012 mm-1, F（000） = 2176, the final R = 0.0338 and wR= 0.0810. The title complex is composed of dinuclear [Co2（2,2＇-bpy）2（μ-L）2（L）2（μ-HaO）] molecules. Each Co（Ⅱ ） atom is coordinated by two nitrogen atoms from one 2,2’-bipyridine ligand, three oxygen atoms from three 4-chlorobenzoic ions and another oxygen atom from one water molecule. The two Co（Ⅱ） atoms are connected by two 4-chlorobenzoic ions and one bridged water molecule. The dinuclear molecules are interlinked by hydrogen bond and π-π stacking interactions into a three-dimensional supramolecular network.

Synthesis and Characterization of a New Ligand 2-(4, 5-Dihydro-2-thiazolyl)-6-methoxylbenzothiazole and Its Dinuclear Co(II) Complex

A new ligand 2-（4,5-dihydro-2-thiazolyl）-6-methoxyl benzothiazole and its new dinuclear Co（II） coordination complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 （1） have been synthesized and characterized. Complex 1 was synthesized by the reaction of Co（II） salt with 2-（4,5-dihydro- 2-thiazolyl）-6-methoxyl benzothiazole under room-temperature evaporation condition and struc- turally characterized by single-crystal X-ray diffraction analysis and IR spectroscopy. The supramolecular network of complex 1 is stabilized by the presence of intermolecular interaction, such as C-H···Cl hydrogen bonding and π-π stacking. The complex crystallizes in triclinic, space group P1 with a = 8.3288（12）, b = 10.5273（15）, c = 10.822（2）, α = 93.416（3）, β = 90.864（3）, γ = 94.890（3）o, V = 943.60（2）3, Z = 2, Dc = 1.758 g/cm3, F（000） = 498 and μ = 1.840 mm-1. The final complex [Co（C11H10N2OS2）Cl2]2·2CHCl3 is a diplex bridged dinuclear complex consisting of two Co（II） ions, two ligands, two bridging Cl- anions and two terminal Cl- anions.

Synthesis and Crystal Structure of a New Dinuclear Copper(II) Polymer: [Cu_2(bipy)_2(Hbtc)_2(H_2O)_2]·(H_2O)_(1/2)

A new dinuclear copper（Ⅱ） polymer [Cu2（bipy）2（Hbtc）2（H2O）2]·（H2O）1/2 1 （bipy = 2,2＇-bipyridine, H3btc = benzene-1,3,5-tricarboxylic acid） was obtained by the hydrothermal reaction of Cu（NOa）2·3H2O, bipy and H3btc. Compound 1 has been structurally characterized by single-crystal X-ray diffraction analysis and identified using elemental analysis and IR spectrum. The title complex crystallizes in monoclinic system, space group P21/c with a = 7.2880（5）, b = 18.4778（13）, c=13.5465（10）A,β = 95.958000）°, CI9HI4.50CuN207.25, M,. = 450.37, V= 1814.4（2）A^3, Z= 4, Dc = 1.649 g/cm^3, μ= 1.253mm^-1, F（000） = 918, Rint = 0.0185, the final R = 0.0271 and wR = 0.0710 for 2773 observed reflections （I 〉 2σ（I））. The study results reveal that a pair of distorted square-pyramidal Cu^2＋ ions are interlinked by bis-monodentate bridging Hbtc^2- ligands to constitute a 16-membered ring.

Synthesis and Structure of a New Dinuclear Uranyl Complex

With a heptadentate compartmental Schiff-base ligand H3L (1, 3-di[o-(salicylimino) ph- enoxyl]-2-propanol), a new binuclear diuranyl complex [(UO2)2L(OH)]?DMF, C38H45N5O13U2, was synthesized and the crystal structure was determined by X-ray diffraction techniques. The coordination geometry are two pentagonal bipyramids. In each pentagon four kinds of U-O (phenoxido, hydroxo, alkoxo and ether oxo) bonds are discussed.

THE STUDY OF STRUCTURE AND DYNAMICS OF DINUCLEAR COMPLEXES ［Mo（VI）］_2－EDTA AND ［Mo（VI）］_2－EGTABY^1HNMR

The 1H and 13C NMR spectra of the dinuclear complexes of molybdenum(VI) withethylenediaminetetraacetic acid ([Mo(VI)]2-EDTA) and 3,12-bis(carboxymethyl)-6.9-dioxa-3,12-diazatetra-decanedioic acid(tMo(VI)]2-EGTA) at various temperatures were measured. The solutionstructure of the two dinuclear complexes was determined and the possible exchange process of theisomers is suggested

Syntheses,Crystal Structures and Theoretical Calculation of Two Transition Metal Dinuclear Complexes

Two transition metal dinuclear complexes of [Mn2（OOCC6H4SSC6H4COO）- （Phen）2（H20）]n 1 and [CuE（OOCC6H4S）2（Phen）2] 2 were hydrothermally synthesized by the reaction of equivalent metal dichloride with 2,2＇-dithiobis（benzoic acid） （HE-DTBB）. Structure analysis indicates that each Mn2＋ ion in I is coordinated by one chelate phen ligand, one bridging water molecule and three DTBB ligands forming Mn2＋ dinuclear units which are further linked into one-dimensional chain by DTBB ligand. Under similar reaction conditions, the 2,2＇-dithio- his（benzoic acid） ligand undergoes thiol reduction to form 2-mercaptobenzoic （H-2-MBA） in 2 where two Cu2＋ ions are coordinated by phen and MBA ligands only constructing a dinuclear unit.

Synthesis and Characterization of A Dinuclear Europium Complex

A dinuclear Eu(Ⅲ) complex Eu2(DBM)6TPPD (Hexa(dibenzoyl-methanido)-(N, N, N, N-tetra(2-pyridyl)-1, 4-phenylenediamine)-dieuropium(Ⅲ)) was synthesized by employing DBM (dibenzoylmethane) and TPPD (N, N, N, N-Tetra(2-pyridyl)-1, 4-phenyl-enediamine) as sensitizing ligands for the Eu(Ⅲ) ion and a bridging ligand, respectively. The analysis of the absorption, excitation, and emission spectra of the dinuclear complex along with a comparison with analogous mononuclear complex containing the same β-diketone ligands and 1, 10-phenanthroline (phen) suggests that the dinuclear complex follows the luminescence mechanism of general Ln(Ⅲ) complexes.

Synthesis and Characterization of Two Novel High Valent Dinuclear Complexes with a Triphenolate Ligand Bearing Functional Groups

Two novel high valent complexes [M2(III, III)L(μ-OAc)2]·PF6 (M=Mn, Fe; 9) were prepared, where L was the tri-anion of 2,6-bis{[(2-hydroxy-3-(morpholin-4-yl methyl)-5-tert- butyl benzyl)(pyridyl-2-methyl)amino]methyl}-4-methyl phenol which contained additional phenolic, tert-butyl and morpholin-4-yl methyl groups compared to its parent [Mn2(II, II)(bpmp) (μ-OAc)2]·ClO4 (10). These improvements decreased the difference between the new model and (Mn)4 cluster (OEC in nature).

Synthesis and Structural Characterization of a Cyano-bridged Dinuclear Neodymium(III)-iron(III) Complex [Nd(DMSO)_5(H_2O)_2](μ-CN)[Fe(CN)_5]

A new neodymiumIII-ironIII complex [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] (DMSO = dimethyl sulfoxide) has been synthesized by the grinding reaction method. The crystal belongs to monoclinic, space group P21/m with a = 8.859(4), b = 13.684(5), c = 12.290(4) ?, ?= 91.85(2)o, C16H34FeN6NdO7S5, Mr= 782.88, V = 1489(1) ?3, Z = 2, Dc = 1.746 g/cm3, S = 0.906, μ(MoKa) = 2.606 mm-1, F(000) = 788, R = 0.0646 and wR = 0.1654. The slightly distorted square-antiprism eightfold-coordinated Nd(III) and approximately oriented octahedrally sixfold- coordinated Fe(III) are linked by a cyano-bridge group to construct a dinuclear compound. The [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] species are held together via hydrogen bonds to form a three-dimensional framework.