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Science china Chemistry 2010年第1期53卷 167-172页

作者： LUO KaiJun,XIE Yu,XU LingLing,WANG JiangWei,ZHANG LiFang & ZHAO KeQing college of Chemistry and Materials Science,sichuan Normal university,chengdu 610068,{4. college of Chemistry and Materials Science Sichuan Normal University Chengdu China

A new series of mono-cyclometalated square planar platinum(Ⅱ) complexes have been synthesized and the single-crystal X-ray structures of complex 1 and 2 have been *** complexes have the general formula ppyPt(O^O),where ppy is 2-phenylpyridyl,and O^O is β-diketonate ancillary ligands with the acyl substituent group in position 3 of(D)-(+)-***,like the many Pt(Ⅱ) complexes with square-planar geometry,these complexes have plane stacking modes in crystal structure,the sterically bulky camphor-derived groups compel extensive slipping of the molecular stacking planes,resulting in the negligible overlapping of the aromatic ring fragments between molecules and the considerable Pt-Pt *** resolved spectra and a little shifted emission in solid state of complexes show that there is significant reduction of π-π interactions and Pt-Pt interactions,and suggest these complexes may be good candidates for doped phosphorescent organic light emitting diodes(PhOLEDs) and even for nondoped PhOLEDs.

关键词： sterically bulky camphor derivatives crystal structure π-π interactions cyclometalated Pt(Ⅱ) complexes

Enantioselective Reduction of Prochiral Ketones Catalyed by Oxazaborolidine Derived from L-Cystine

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Chinese Chemical Letters 1997年第8期8卷 679-680页

作者： Xing Shu Li Xiao Ling Zhang Ru Gang Xie(Department of Chemistry, sichuan Union university, chengdu, 610064.(Department of Chemistry, sichuan Educational {4., chengdu, 61004.) Department of Chemistry Sichuan Union University Chengdu 610064 China Department of Chemistry Sichuan Educational College Chengdu 610041 China

Two new chiral oxazaborolidine derivated from L-cystine have been used to catalyze the enantioselective reduction of prochiral ketones and the secondary alcohols are obtained with good to excellent opitical yields.

关键词： Enantioselective Reduction of Prochiral Ketones Catalyed by Oxazaborolidine Derived from L-Cystine

EFFECT OF DISCHARGE RATIO ON FLOW CHARACTERISTICS IN 90°EQUAL-WIDTH OPEN-CHANNEL JUNCTION

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Journal of Hydrodynamics 2009年第4期21卷 541-549页

作者： ZHANG Ting XU Wei-lin WU Chao college of Civil Engineering Fuzhou University Fuzhou 350108 China State Key Laboratory of Hydraulics and Mountain River Engineering Sichuan University Chengdu 610065 China

For the 90° equal-width open-channel junction flow, the Reynolds averaged Navier-Stokes equations are solved while using the 3-D κ- ω model. The mean flow pattern and the secondary current are obtained. The model is validated by experimental data, and then applied to investigate the effect of the discharge ratio on the shape of separation zone shape, the cross-sectional mean flow angle and the contraction coefficient. The results are fairly close to those of the prior studies. The numerical modeling is both less time-consuming and less expensive to obtain the various flow parameters needed for engineering design.

关键词： κ- ω turbulent model open-channel junction separation zone secondary current

Entropy product measure for multipartite pure states

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Science china(physics,Mechanics & Astronomy) 2006年第5期49卷 606-615页

作者： CAO Wancang1,2, LIU Dan2, PAN Feng3 & LONG Guilu2,4.1. Department of physics, Chifeng college, Chifeng 024.01, china 2. Key Laboratory for Quantum Information and Measurements, Department of physics, Tsinghua {4., Beijing 100084. china 3. Department of physics, Liaoning Normal {4., Dalian 116029, china 4. Key Laboratory for Atomic and Molecular Nano-Sciences, Tsinghua {4., Beijing 100084. china Correspondence should be addressed to Long Guilu Department of physics Chifeng College Chifeng China Key Laboratory for Quantum Information and Measurements Department of Physics Tsinghua University Beijing China Department of physics Liaoning Normal University Dalian China Key Laboratory for Atomic and Molecular Nano-Sciences Tsinghua University Beijing China

An entanglement measure for multipartite pure states is formulated using the product of the von Neumann entropy of the reduced density matrices of the constituents. Based on this new measure, all possible ways of the maximal entanglement of the triqubit pure states are studied in detail and all types of the maximal entanglement have been compared with the result of ‘the average entropy’. The new measure can be used to calculate the degree of entanglement, and an improvement is given in the area near the zero entropy.

关键词： multipartite pure state von Neumann entropy entanglement measure

One approach to calculating the solvent reorganization energy of intramolecular electron transfer

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Chinese Science Bulletin 2003年第1期48卷 35-38页

作者： FU Kexiang1,2, LI Xiangyuan1, ZHU Quan1 & LU Shenzhuang1 1. college of Chemical Engineering, sichuan university, chengdu 61.065, china 2. college of physics, sichuan university, chengdu 610064. china Correspondence should be addressed to Li Xiangyuan (e-mail: xyli@***) college of Chemical Engineering Sichuan University Chengdu 610065 China college of physics Sichuan University Chengdu 610064 China

On the basis of the electromagnetic field theory and the spherical cavity approximation, the expressions ofGibbs free energies under equilibrium and non-equilibrium solvation conditions are obtained by solving the electrostatic potential equations with boundary conditions. The surface charges produced by the orientational polarization of equi-librium solvation are taken fixed in the case of non-equilibrium situation, for the slow-response of the orientational polarization to electron transfer of the solvent molecules. Anew expression of solvent reorganization energy has beenobtained and this method is applied to the electron transfer systems, NO+/NO, NO2+/NO2, and NO2+/NO. The solvent reorganization energies have been evaluated.

关键词：分子内电子传递溶剂重排能定向极化自由能电子极化计算方法

The Molecular Structure and Potential Energy Function for Ne-HF System

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原子与分子物理学报 1999年第3期16卷 36-41页

作者： HUANG Zheng a, RAN Ming b, ZHU Zheng he b (a. Department of Applied physics Southwest Jiaotong university, chengdu 610031, china b. Institute of Atomic and Molecular physics, sichuan university, chengdu 61.065, china) Department of Applied physics Southwest Jiaotong university Chengdu 610031 China Department of Chemistry Sichuan Normal University Chengd 610066 China Institute of Atomic and Molecular physics Sichuan University Chengdu 610065 China

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关键词： Ne-HF ab initio Many-body expansion theory Analytical potential energy function

A first-principles investigation into the hydrogen bond interaction in β-HMX

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Science china(physics,Mechanics & Astronomy) 2010年第6期53卷 1080-1085页

作者： CHEN Fang 1 ,ZHANG Hong 1,2,ZHAO Feng 3 ,MENG ChuanMin 3 & CHENG XinLu 1 1 Institute of Atomic and Molecular physics,sichuan university,chengdu {4.,china 2 School of Physical Science and Technology,sichuan university,chengdu {4.,china 3 Laboratory for Shock Wave and Detonation physics Research,Southwest Institute of Fluid physics,china Academy of Engineering physics,Mianyang 621900,china Institute of Atomic and Molecular physics Sichuan University Chengdu China School of Physical Science and Technology Sichuan University Chengdu China Laboratory for Shock Wave and Detonation physics Research Southwest Institute of Fluid Physics China Academy of Engineering Physics Mianyang China

A theoretical study of structural and electronic properties of β-HMX crystal is performed using density-functional theory(DFT). The total density of states(TDOS) is presented. The atomic orbit projected density of state(PDOS) from the p-type orbit of C,N,O and the s-type orbit of H is discussed. The study by analyzing the PDOS shows that the structure of β-HMX crystal possesses C-H···O intra- and inter-molecular hydrogen-bonding. There exists a hydrogen bonding between H5 -1s and O12 -2p orbits,between H19 -1s and O28 -2p orbits of intra molecules,and between H19 -1s and O24.-2p orbits of inter molecules. The Mulliken population analysis is also made.

关键词： structural property hydrogen bond β-HMX population analysis

Interaction of bis-aryl functionalized molecules with nucleosides and nucleic acids

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Science china Chemistry 2010年第1期53卷 103-112页

作者： HUANG Yu1,LIU JunLiang1,ZHANG Ji1,LIU Qiang1,HOU JiTing1,ZHANG Yu1,ZHANG DaWei2,LU QiaoSen1,CHEN ShanYong1,LIN HongHui2 & YU XiaoQi1 1 Key Laboratory of Green Chemistry and Technology,Ministry of Education college of Chemistry,sichuan university,chengdu 610064.{4. 2 Key Laboratory of Bio-resources and Eco-environment,Ministry of Education college of Life Sciences,sichuan university,chengdu 610064.{4.. Key Laboratory of Green Chemistry and Technology Ministry of Education college of Chemistry Sichuan University Chengdu China Key Laboratory of Bio-resources and Eco-environment Ministry of Education college of Life Sciences Sichuan University Chengdu China

A series of novel molecules with a cyclen(1,4.7,10-tetraazacyclododecane) moiety appended on and bearing different aromatic fragments in the structures were synthesized and *** binding activities of these compounds towards DNA were systematically studied by spectroscopic,viscometric and gel electrophoresis *** results suggest that the stacking interaction plays an important role in improving the DNA binding ability of the *** binding modes of the compounds towards DNA are also affected by the sizes of the aromatic *** binding interaction between binaphthyl compound 1b and several nucleosides was studied by fluorescence *** interaction and hydrophobic interaction play the key role in such non-selective binding process.

关键词： stacking and hydrophobic interactions DNA binding aromatic compounds nucleosides oligonucleotides

Diamond synthesis from a system of chromium-carbide andNi_(70)Mn_(25)Co_5 alloy

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Chinese Science Bulletin 1998年第24期43卷 2063-2066页

作者： LI Liangbin 1, JIANG Jinchun 1, HONG Shiming 1, ZHONG Yumao 2 and ZHANG Xinyuan 2 1. Institute of Applied physics, sichuan Union university, chengdu 61.065,{4. 2. Center for Analysis and Test, sichuan Union university, chengdu 61.065,{4. Institute of Applied physics Sichuan Union University Chengdu China Center for Analysis and Test Sichuan Union University Chengdu China

In order to ascertain the mechanism of interaction between carbide and metallic catalyst and formation of diamond under high pressure and high temperature, and find a new method to synthesize diamond with special properties, it is necessary to investigate the reaction behavior of different carbides and metallic solvent_catalysts under high pressure and high temperature. A system of Cr-3C-2 powder and Ni 70Mn 25Co 5 alloy in weight ratio of 1∶6 was treated under 6 0 GPa and 1 500℃ for 20, 30 or 60 min respectively. X_ray diffraction of the samples indicated the Cr 3C 2 decomposed partially after high pressure and temperature treatment, and Cr 7C 3, Cr and diamond formed respectively. There was not any trace of graphite in the samples. The result suggested that the separated carbon atoms could form diamond directly without conversion process of graphite into diamond. The observation of SEI, WDX and EDX also showed that diamond crystals were synthesized in the system, which have perfect surfaces and shapes, with the average grain size of about 4. μm. The properties of the crystals are being investigated.

关键词： chromium_carbide high pressure synthesis diamond.

Preparation of giant unilamellar CdTe quantum dot vesicles and their metabolic pathway in vivo

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Science china Chemistry 2010年第8期53卷 1718-1722页

作者： WANG XianXiang1,3,YANG ZhongKe2,SAN Zhi1,PEN Xi2 & HUANG QianMing1 1college of Biology and Science,sichuan Agricultural university,Ya’an 625014.china 2college of Veterinary Medicine,sichuan Agricultural university,Ya’an 625014.china 3college of Chemistry,sichuan university,chengdu 61004.,china college of Biology and Science Sichuan Agricultural University Ya’an China college of Chemistry Sichuan University Chengdu China college of Veterinary Medicine Sichuan Agricultural University Ya’an China

Glutathione (GSH) capped CdTe quantum dots (QDs) with photoluminescence quantum yields of 61% and the maximum emitting at 601.2 nm were prepared in water *** unilamellar CdTe quantum dot vesicles (GUVs-CdTe),with diameters larger than 1.5 μm,were obtained using lower-pressure evaporation techniques with soybean *** with other QD liposomes,the entrapment efficiency of GUVs-CdTe for QDs has been significantly improved to 86.3%.After GUVs-CdTe were injected into mice through the tail vein,the fluorescence microscopy of tissue sections showed that GUVs-CdTe could not pass through the blood-brain barrier and air-blood barrier,which were removed mostly by the reticuloendothelial system and were widely distributed in the spleen and the *** behavior is the same as the character of the metabolic pathway of giant unilamellar vesicles by intravenous injections in mice.

关键词： quantum dots giant unilamellar quantum dot vesicles metabolic pathway