SIMULATION OF TYPHOON’S ANOMALOUS TRACK (Ⅰ)──RANKINE VORTEX MODEL

This paper proposes a method for simualting symmetric and simulating symmetric and asymmetric typhoonby using Rankine vortex model. Considering similarity between tropical cyclone andthe Rankine vortex,the paper has qualitatively discussed the feasibility of the methods In order to decide quantitatively Rankine vortex’s parameters to simulate typhoon’s structure, the paper has dealt with TCM data.for Yancy Typhoon (9012) as initial fields.. These results are considered as a foundation for further studying typhoon motion by CD approach.     

Facile synthesis of ultrafine Co3O4 nanocrystals embedded carbon matrices with specific skeletal structures as efficient non-enzymatic glucose sensors

A facile, effective, and environmentally friendly method has been adopted for the first time to prepare tiny Co₃O₄ nanocrystals embedded carbon matrices without using surfactants, harmful organic reagents or extreme conditions. Structural characterizations reveal that the size-controlled Co₃O₄ nanocrystals are uniformly dispersed on carbon matrices. Electrochemical measurements reveal that Co₃O₄-ordered mesoporous carbon (OMC) can more efficiently catalyze glucose oxidation and acquire better detection parameters compared with those for the Co₃O₄-macroporous carbon, Co₃O₄-reduced graphene oxide, and free Co₃O₄ nanoparticles (NPs) (such as: the large sensitivity (2597.5 μA cm⁻² mM⁻¹ between 0 and 0.8 mM and 955.9 μA cm⁻² mM⁻¹ between 0.9 and 7.0 mM), fast response time, wide linear range, good stability, and surpassingly selective capability to electroactive molecules or Cl⁻). Such excellent performances are attributed to the synergistic effect of the following three factors: (1) the high catalytic sites provided by the uniformly dispersed and size-controlled Co₃O₄ nanocrystals embedded on OMC; (2) the excellent reactant transport efficiency caused by the abundant mesoporous structures of OMC matrix: (3) the improved electron transport in high electron transfer rate (confinement of the Co₃O₄ NPs in nanoscale spaces ensured intimate contact between Co₃O₄ nanocrystals and the conducting OMC matrix). The superior catalytic activity and selectivity make Co₃O₄-OMC very promising for application in direct detection of glucose.     

β-Octafluorinated tetrakis(ethoxycarbonyl)porphyrin

Tetrakis(alloxycarbonyl)porphyrin and its β-octafluoro-substituted derivatives were synthesized via Lindsey method and transformed to their zinc complexes.Single crystal X-ray structures of corresponding Zn(Ⅱ) porphyrins revealed that β-octafluorination will give more compactness of porphyrin moieties in the crystal structure owing to the hydrogen bonding interactions involving β-fluorine atoms.An unusual six-coordinated Zn(Ⅱ) was found via intramolecular coordination of oxygen atom of meso-substituents with central Zn(Ⅱ).     

Mechanism of Gold(I)‐Catalyzed Conia‐ene Reaction of β‐Ketoesters with Alkynes: A DFT Study

Density functional calculations have been performed to comparatively investigate two possible pathways of Au(I)‐catalyzed Conia‐ene reaction of β‐ketoesters with alkynes. Our studies find that, under the assistance of trifluoromethanesulfonate (TfO), the β‐ketoester is the most likely to undergo Model II to isomerize into its enol form, in which TfO plays a proton transfer role through a 6‐membered ring transition state. The coordination of the Au(I) catalyst to the alkynes triple bond can enhance the eletrophilic capability and reaction activity of the alkynes moiety, which triggers the nucleophilic addition of the enol moiety on the alkynes moiety to give a vinyl‐Au intermediate. This cycloisomerizaion step is exothermal by 21.3 kJ/mol with an energy barrier of 56.0 kJ/mol. In the whole catalytic process, the protonation of vinyl‐Au is almost spontaneous, and the formation of enol is a rate‐limiting step. The generation of enol and the activation of Au(I) catalyst on the alkynes are the key reasons why the Conia‐ene reaction can occur in mild condition. These calculations support that Au(I)‐catalyzed Conia‐ene reactions of β‐ketoesters with alkynes go through the pathway 2 proposed by Toste.     

From simple to complex: topological evolution and luminescence variation in a copper(I) pyridylpyrazolate system tuned via second ligating spacers

By systematically varying the geometric length and electronic properties of the second ligating ligands of halogen (Cl(-), Br(-), and I(-)) and pseudohalogen (CN(-), SCN(-), and N(3)(-)) anions, we synthesized 11 isomeric/isostructural copper(I) complexes: [Cu(2)(L3-3)I](n) (1), [Cu(2)(L4-4)Br](n) (2-Br), [Cu(2)(L4-4)Cl](n) (2-Cl), [Cu(2)(L3-4)(CN)](n) (3), [Cu(2)(L3-3)(CN)](n) (4), [Cu(3)(L4-4)(CN)(2)](n) (5), {[Cu(2)(L4-4)Br](2)·CuBr}(n) (6-Br), {[Cu(2)(L4-4)Cl](2)·CuCl}(n) (6-Cl), [Cu(2)(L4-4)(SCN)](n) (7α-SCN), [Cu(2)(L4-4)(SCN)](n) (7β-SCN), and [Cu(2)(L4-4)(N(3))](n) (7α-N(3)). These structures are based on a series of isomeric pyridylpyrazole ligands, namely, 3,5-bis(3-pyridyl)-1H-pyrazole (HL3-3), 3-(3-pyridyl)-5-(4-pyridyl)-1H-pyrazole (HL3-4), and 3,5-bis(4-pyridyl)-1H-pyrazole (HL4-4), and their structural features range from 1-D (1), 2-D (2), and 3-D noninterpenetration (3), to 3-D 2-fold interpenetration (4 and 5), to 3-D self-catenation (6 and 7), exhibiting a trend from simple to complex with dimension expansion and an interpenetrating degree increase. The five most complex structures (6 and 7) with self-catenated networks are based on 2-fold interpenetrated networks linked via appropriate second ligating spacers (Cl(-), Br(-), SCN(-), and N(3)(-)), representing a strategy to construct self-catenated coordination polymers through cross-linking interpenetrated frameworks. Moreover, these complexes exhibit strong photoluminescence, which is mainly ascribed to Cu(I)-related charge transfers (MLCT, MC, and MMLCT) regulated by the electronic properties of halogen or pseudohalogen. The topological evolution and luminescence variation presented in this work open an avenue to understanding the luminescence origin and the structure-property relationship of luminescent coordination polymers.     

弹性固体红外辐射特征的微观机理初探

从原子晶格模型出发, 研究了原子振动频率及辐射随原子间距的变化规律; 探讨了 固体材料弹性阶段的红外辐射特征、影响因素和所属形变范围, 并与弹性固体材料红外辐射 场进行了对比分析. 发现本文模型揭示的红外辐射升温区和降温区与实验结果较为一致, 从 而初步揭示了固体材料载荷初期红外辐射特征的微观机理.     

ΛΛ 6 hypernucleus in α + 2Λ cluster model

The binding energy of the double hypernucleus _ΛΛ ⁶ is calculated in α + 2Λ cluster model using the method of translation invariant basis TIMO. As regards the required interaction potentials we use a density dependent effective ΛN force and a gaussian form for ΛΛ potential. With these interactions a very reasonable value ofB _ΛΛ is obtained if the oscillator states up to the excitation quantum numberN=12 are taken into account in the expansion of wavefunction of the hypernucleus. This value ofN is much smaller than that obtained in an earlier study. This lowering inN value is attributed to a much better choice of ΛN potential used in the present study.