One-dimensional Coordination Polymers of rctt-1,3-Diphenyl-2,4-bis [2-（5-phenyl）- oxazolyl]cyclobutane with CuCI2 and COCl2

The Cu（Ⅱ） and Co（Ⅱ） supramolecular coordination polymers, [CuCl2（DPO）- （CH3CN）0.5（CH2Cl2）0.5]n （CuDPO, DPO = rctt-1,3-diphenyl-2,4-bis[2-（5-phenyl）oxazolyl]cyclo- butane） and [CoCl2（DPO）]n （CoDPO）, were synthesized and characterized by single-crystal X-ray diffraction method. CuDPO crystallizes in monoclinic, space group P21/n, with a = 11.243（5）, b = 16.070（8）, c = 19.872（9） A, β = 95.678（10）°, Z = 4, V= 3573（3） A3, C35.50H28.50Cl3CuN2.50O2, Mr = 692.00, Dc = 1.287 g/cm3, p = 0.868 mm^-1, F（000） = 1420, S = 1.089, （△/σ）max = 0.069, the final R = 0.0682 and wR = 0.1749. CoDPO is of monoclinie, space group P21/n, with a = 11.396（4）, b = 15.151（5）, c = 17.673（6） A, β = 90.528（6）°, Z = 4, V = 3051.4（17） A3, C34H26Cl2CoN2O2, Mr = 624.40, Dc = 1.359 g/cm3, μ = 0.770 mm^-1, F（000） = 1284, S = 0.981, （△/σ）max = 0.001, the final R = 0.0471 and wR = 0.0961. In each case, the metal cation is coordinated by two C1 anions and two N atoms from oxazole ring of the ligands, which leads to the formation of a one-dimensional polymeric structure. It is found that the cyclobutane ring of coordinated DPO adopts a distorted conformation in the crystal, which is attributed to the increased steric effect between adjacent aryl substituents for the coordination of oxazole ring to metal cation. Thermal gravimetric analysis of the two complexes was also observed.     

Influence of structural defects on the optical properties of strongly coupled Au nanoshell arrays

The effects of different defects on optical properties and plasmon resonances properties of Au nanoshell arrays were investigated by using the finite-difference time-domain(FDTD) theory.It is found that the optical properties of the nanoshell arrays are strongly influenced by different defects.We show that when the hollow Au nanoshell arrays are placed in air,there is a wide photonic band gap(PBG) in the infrared region,but the band gap becomes narrower as we introduced different defects.Based on the distributions of electric field component E z and the total energy distribution of the electric and the magnetic field,we show that there exhibit dipoles field distributions for the plasmon mode at the long-wavelength edge of the band gap,but composite higher order modes are excited at the short-wavelength edge of the band gap.The plasmon resonant modes also can be controlled by introducing defects.     

Tunable Sum Frequency Mixing of a Ti∶sapphire Laser and a Nd∶YAG Laser

1　Ｉｎｔｒｏｄｕｃｔｉｏｎ　　Ｔｉ∶ｓａｐｐｈｉｒｅｌａｓｅｒｉｓｔｈｅｍｏｓｔｗｉｄｅｌｙｔｕｎａｂｌｅｌａｓｅｒｉｎｔｈｅｃｕｒｒｅｎｔｌａｓｅｒｔｅｃｈｎｏｌｏｇｙａｎｄｈａｓａｔｕｎｉｎｇｒａｎｇｅｆｒｏｍ 0 .68ｔｏ 1 .1 μｍ .Ｓｏｉｔｉｓ ｑｕｉｔｅｉｍｐｏｒｔａｎｔａｎｄｕｓｅｆｕｌｗｉｔｈｎｏｎｌｉｎｅａｒｏｐｔｉｃａｌｆｒｅｑｕｅｎｃｙｃｏｎｖｅｒｓｉｏｎｔｅｃｈｎｏｌｏｇｙｔｏｅｘｐａｎｄｉｔｓｏｕｔｐｕｔｗａｖｅｌｅｎｇｔｈ .Ｎｏｎｌｉｎｅａｒｗａｖｅｌｅｎｇｔｈｃｏｎｖｅｒ…     

FeCl_3·6H_2O Catalyzed Reaction of Aromatic Aldehydes with 5, 5-Dimethyl-1, 3-cyclohexandione in Ionic Liquids

Room temperature ionic liquids with low melting point (<100℃) salts represent a new class of non-molecular, ionic solvents. Especially those based on the 1-N-alkyl-3- methylimidazolium cations, have shown great promise as an attractive alternative to conventional solvents for catalytic reactions1. On the other hand, FeCl3·6H2O was considered to be an environmentally benign Lewis acid and has been used successfully in several kinds of organic reactions2. Recently we have focused our interes…     

Tensile properties of structural I clathrate hydrates: Role of guest–host hydrogen bonding ability

Clathrate hydrates (CHs) are one of the most promising molecular structures in applications of gas capture and storage, and gas separations. Fundamental knowledge of mechanical characteristics of CHs is of crucial importance for assessing gas storage and separations at cold conditions, as well as understanding their stability and formation mechanisms. Here, the tensile mechanical properties of structural I CHs encapsulating a variety of guest species (CH₄, NH₃, H₂S, CH₂O, CH₃OH, and CH₃SH) that have different abilities to form hydrogen (H-) bonds with water molecule are explored by classical molecular dynamics (MD) simulations. All investigated CHs are structurally stable clathrate structures. Basic mechanical properties of CHs including tensile limit and Young’s modulus are dominated by the H-bonding ability of host–guest molecules and the guest molecular polarity. CHs containing small CH₄, CH₂O and H₂S guest molecules that possess weak H-bonding ability are mechanically robust clathrate structures and mechanically destabilized via brittle failure on the (1 0 1) plane. However, those entrapping CH₃SH, CH₃OH, and NH₃ that have strong H-bonding ability are mechanically weak molecular structures and mechanically destabilized through ductile failure as a result of gradual global dissociation of clathrate cages.     

Merging and splitting dynamics between two bright solitons in dipolar Bose-Einstein condensates

We numerically study the interaction dynamics of two bright solitons with zero initial velocities in the one-dimensional dipolar Bose-Einstein condensates. Under different dipolar strengths, the two bright solitons can merge into a breathing wave, and then split or propagate constantly after several oscillating periods. We quantitatively study the breathing frequency of wave after merging and the asymmetry property of solitons after splitting, and analyze their formation mechanism by the system's energy evolution. Also, the change of initial phase difference brings distinct effects on the soliton interaction. Our results provide insight into the new dynamical phenomena in dipolar systems and enrich the understanding for interaction between dipolar solitons.     

Isolation of lignosulfonate with low polydispersity index

<正>Lignosulfonate with low polydispersity index of 1.178-1.210 was isolated by gel column chromatography of Sephacryl S-100 eluted with 0.2 mol/L of NaNO_3 aqueous solution,whereas nearly monodisperse ligosulfonate fraction with polydispersity of 1.0(57 can be obtained after chromatographic separation twice.This method provides an available approach to investigate the structure and characteristics of lignosulfonate.     

Convenient synthesis of chiral H4-BINOL via direct hydrogenation of BINOL

<正>A simple,highly effective hydrogenation of chiral BINOL to provide H_4-BINOL in multigram scale with good yield(up to 78% yield) was developed.A series of heterogeneous catalysts was tested in the hydrogenation;;the best result was obtained with 5%Pd/ C in EtOH under the H_2 pressure of 50 bar for 2 h.This method is a more useful method for practical synthesis of optically pure H_4- BINOL than other available methods.     

A new dicaffeoyl quinic acid from Nannoglottis ravida

<正>A new dicaffeoyl quinic acid,nannoglottisin A,has been isolated from an endemic plant of Nannoglottis ravida,and the structure of the compound was identified by means of spectroscopic analysis.     

Theoretical Study on the Adsorption and Decomposition of Methanol over the Pt-Mo（111）/C Surface

The density functional theory(DFT) and self-consistent periodic calculation were used to investigate the methanol adsorption on the Pt-Mo(111)/C surface.The adsorption energies,equilibrium geometries and vibration frequencies of CH3OH on nine types of sites on the Pt-Mo(111)/C surface were predicted and the favorite adsorption site for methanol is the top-Pt site.Both sites of valence and conduction bands of doped system have been broadened,which are favorable for electrons to transfer to the cavity.The possible decomposition pathway was investigated with transition state searching and the calculation results indicate that the O-H bond is first broken,and then the methanol decomposes into methoxy.The activation barrier of O-H bond breaking with Pt-Mo catalyst is only 104.8 kJ mol-1,showing that carbon supported Pt-Mo alloys have promoted the decomposition of methanol.Comparing with the adsorption energies of CH3OH on the Pt(111)/C surface and that of CO,the adsorption energies of CO are higher,and Pt(111)/C is liable to be oxidized and loses the activity,which suggests that the catalyst Pt-Mo(111)/C is in favor of decomposing methanol and has better anti-poisoning ability than Pt(111)/C.