检索结果-南通市图书馆

Theoretical studies on Ru(fppz)_2.CO)L (L=N-heterocyclic ligand):Electronic structure,absorption,phosphorescence,and solvatochromism

引用

Science China chemistry 2008年第12期51卷 1211-1220页

作者： LIU Tao1, ZHOU Xin1, BAI FuQuan1, ZHANG JianPo1, XIA BaoHui1,2. PAN QingJiang3 & ZHANG HongXing1 1 State Key Laboratory of Theoretical and Computational {2., Institute of Theoretical {2., Jilin university, Changchun 13002., China 2.college of {2., Jilin university, Changchun 13002., China 3 Laboratory of Physical {2., School of {2. and Materials Science, Heilongjiang university, Harbin 150080, China State Key Laboratory of Theoretical and Computational chemistry Institute of Theoretical Chemistry Jilin University Changchun China college of chemistry Jilin University Changchun China Laboratory of Physical chemistry School of Chemistry and Materials Science Heilongjiang University Harbin China

A series of ruthenium(II) complexes Ru(fppz)2.CO)L [fppz = 3-trifluoromethyl-5(2.pyridyl)pyrazole; L = pyridine (1), 4-dimethylaminopyridine (2., 4-cyanopyridine (3)] were designed and investigated theo-retically to explore their electronic structures, absorption, and emissions as well as the solvatochrom-ism. The singlet ground state and triplet excited state geometries were fully optimized at the B3LYP/LANL2.Z and CIS/LANL2.Z level, respectively. The HOMO of 1-3 is composed of dyz(Ru) atom and π(fppz). The LUMO of 1 and 2.is dominantly contributed by π*(fppz) orbital, but that of 3 is con-tributed by π*(L). Absorption and phosphorescence in vacuo, C6H12. and CH3CN media were calculated using the TD-DFT level of theory with the PCM model based on the optimized ground and excited state geometries, respectively. The lowest-lying absorption of 1 and 2.at 387 and 391 nm is attributed to {[dyz(Ru) + π(fppz)] → [π*(fppz)]} transition, but that of 3 at 479 nm is assigned to {[dyz(Ru) + π(fppz)] → [π*(L)]} transition. The phosphorescence of 1 and 2.at 436 and 438 nm originates from 3{[dyz(Ru) + π(fppz)] [π*(fppz)]} excited state, while that of 3 at 606 nm is from 3{[dyz(Ru) + π(fppz)] [π*(L)]} excited state. The calculation results showed that the absorption and emission transition character can be changed from MLCT/ILCT to MLCT/LLCT transition by altering the substituent on the L ligand. The phosphorescence of 1 and 2.does not have solvatochromism, but that of 3 at 606 nm (vacuo), 584 nm (C6H12., and 541 nm (CH3CN) is strongly dependent on the solvent polarity, so introducing elec-tron-withdrawing group on ligand L will induce remarkable solvatochromism.

关键词： ruthenium complex DFT phosphorescence solvatochromism

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Entropy product measure for multipartite pure states

引用

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 02.001, China 2. Key Laboratory for Quantum Information and Measurements, Department of Physics, Tsinghua {2., Beijing 100084, China 3. Department of Physics, Liaoning normal {2., Dalian 11602., China 4. Key Laboratory for Atomic and Molecular Nano-Sciences, Tsinghua {2., 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

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Optimal controlled teleportation via several kinds of three-qubit states

引用

Science China(Physics,Mechanics & Astronomy) 2008年第10期51卷 1529-1556页

作者： GAO Ting1,2. YAN FengLi2.3 & LI YouCheng3 1 college of Mathematics and Information Science, Hebei {2. university, Shijiazhuang 050016, China 2.Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching, Germany 3 college of Physics and Information Engineering, Hebei {2. university, Shijiazhuang 050016, China college of Mathematics and Information Science Hebei Normal University Shijiazhuang China Max-Planck-Institut für Quantenoptik Garching Germany college of Physics and Information Engineering Hebei Normal University Shijiazhuang China

The probability of successful controlled teleportation of an unknown qubit using a general three-particle state is investigated. The analytic expressions of maximal probabilities via several kinds of tripartite states... 详细信息

关键词： controlled teleportation three-qubit state maximal probability

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Theoretical Studies on Electronic Spectra and Second-order Nonlinear Optical Properties of N-methyl-2.（2.-thiophene）-pyrrolo[3,4]C60

引用

Chinese Chemical Letters 2001年第8期12卷 719-722页

作者： Ying LIU1, Yong Jun LIU2., Cheng Bu LIU2.1Department of chemistry, Qufu {2. university, Qufu 2.3165 2.nstitute of Theoretical chemistry, Shandong university, Jinan 2.0100 Department of chemistry Qufu Normal University Qufu 273165 China Institute of Theoretical chemistry Shandong University Jinan 250100 China

By using AM1 method, the structures and electronic properties of N-methyl-2.(2.-thiophene)-pyrrolo[3,4]C60 (MTPC) and N-methyl-pyrrolo[3,4]C60 (MPC) have been studied. Based on the AM1 geometry optimizing, the electronic spectra and second-order nonlinear optical polarizabilities (() of MTPC and MPC were calculated by using INDO/SCI method combined with Sum-Over-States (SOS) expression.

关键词： C60 derivatives electronic spectra and second-order nonlinear optical properties.

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Effect of Ultrafine Grinding on Dissolving-out Quantity of Tanshinone IIA from Radix Salvia Miltiorrhiza

引用

Journal of Wuhan university of Technology(Materials Science) 2009年第6期24卷 973-976页

作者：苏艳丽傅正 college of chemistry Chemical Engineering and Material ScienceSoochow UniversitySuzhou China State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology

In order to improve the bioavailability, Radix salvia miltiorrhiza raw powder mixed with distilled water （5.5wt%） was ultrafinely ground to nanosize particles using HSCS pulverizer, and the dissolving-out quantity of tanshinone IIA in the filtrate that obtained from nanoparticles suspension and raw powder marinated in water for different time was determined by HPLC. The experimental results show that raw powder can be ultrafinely ground to 133.5 nm at 1500 r/min for 50 min and the molecular structure of active ingredients doesnot change, and the dissolving-out quantity of tanshinone IIA obtained from the filtrate is increased greatly from 12.77 μg/g to 54.55 μg/g.

关键词： Radix salvia miltiorrhiza tanshinoe IIA HPLC dissolving-out quantity

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

The dynamical properties of Rydberg hydrogen atom near a metal surface

引用

Science China(Physics,Mechanics & Astronomy) 2005年第6期48卷 667-675页

作者： GE Meihua1, ZHANG Yanhui1, WANG Dehua2. DU Mengli3 & LIN Shenglu1 1. college of Physics and Electronics, Shandong normal {2., Jinan 2.0014, China 2. Department of Mathematics and Physics, Shandong Institute of Architecture and Engineering, Jinan 2.0014, China 3. Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100080, China college of Physics and Electronics Shandong Normal University Jinan China Department of Mathematics and Physics Shandong Institute of Architecture and Engineering Jinan China Institute of Theoretical Physics Chinese Academy of Sciences Beijing China

The dynamical properties of Rydberg hydrogen atom near a metal surface are presented by using the methods of phase space analysis and closed orbit theory. Transforming the coordinates of the Hamiltonian, we find that the phase space of the system is divided into vibrational and rotational region. Both the Poincaré surface of section and the closed orbit theory verify the same conclusion clearly. In this paper we choose the atomic principal quantum number as n = 2.. The dynamical character of the exited hydrogen atom depends sensitively on the atom-surface distance d. When d is sufficiently large, the atom-surface potential can be expressed by the traditional van der Waals force and the system is integrable. When d becomes smaller, there exists a critical value dc. For d > dc, the system is near-integrable and the motion is regular. While chaotic motion appears for d < dc, and the system tends to be non-integrable. The trajectories become unstable and the electron might be captured onto the metal surface.

关键词： Rydberg hydrogen atom, van der Waals interaction, Poincaré surface of section, closed orbit theory, chaos.

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Controlled free radical polymerization of styrene initiated from the alkoxyamine-functionalized silicon surface

引用

Science China chemistry 2005年第5期48卷 449-458页

作者： CHEN Zhijun1, ZHOU Sikai1, LU Wenzhong1, FANG Shaoming1, JIANG Xiqun2.& YANG Changzheng2.1. college of Materials and Chemical Engineering, Zhengzhou university of Light Industry, Zhengzhou 450002. China 2. Laboratory of Mesoscopic Material Science and Department of Polymer Science & Engineering, college of chemistry & Chemical Engineering, Nanjing university, Nanjing 2.0093, China college of Materials and Chemical Engineering Zhengzhou University of Light Industry Zhengzhou 450002 China

We describe a new method of fabricating a brush-like polystyrene layer anchored on the surface of the silicon substrate, which involves three steps, namely (i) the attachment of 3-methacryloxypropyltrimethoxysilane onto the silicon surface; (ii) the reaction of vinyl moiety at another extremity of the anchored 3-methacryloxypropyltrimethoxysilane to 4-Hydroxyl-2. 2. 6, 6-tetramethyl-1-piperidinyloxy (HTEMPO?) catalyzed by azobisisobutyronitrile (AIBN); (iii) living free radical grafting polymerization of styrene in the presence of HTEMPO?. The controllable living free radical polymerization permits accurate control of both the molecular weight and the polydispersity. X-photoelectron spectroscopy measurement proved that the alkoxyamine initiator layer forms on the silicon surface. XPS and Ellipsometry measurements showed that the poly-styrene chains were covalently anchored onto the silicon surface. The thickness of the grafted polymer layer can be accurately manipulated by altering the polymerization time. The new method allows synthesizing random copolymer and block copolymers by the sequential growth of monomers from the substrate surface.

关键词： polymer brush, controlled living free radical polymerization, thickness, atomic force microscopy, 3-methacryloxypropyltrimethoxysilane.

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Exchange bias for ferromagnetic/antiferromagnetic bilayers with the uniaxial anisotropy being misaligned with the exchange anisotropy

引用

Science China(Physics,Mechanics & Astronomy) 2009年第12期52卷 1885-1892页

作者： BAI YuHao1 & YUN GuoHong1,2.1 college of Physical Science and Technology,Inner Mongolia university,Hohhot 01002.,China 2.Key Laboratory of Physics and {2. of Functional Materials,college of Physics and Electronic Information,Inner Mongolia normal university,Hohhot 01002.,China college of Physical Science and Technology Inner Mongolia University Hohhot China Key Laboratory of Physics and chemistry of Functional Materials College of Physics and Electronic Information Inner Mongolia Normal University Hohhot China

Using the principle of minimal energy and S-W model,the exchange bias for ferromagnetic/antiferro-magnetic bilayers has been investigated when the uniaxial anisotropy is misaligned with the exchange anisotropy. According to the relation between the energy of the bilayer and the orientation of ferro-magnetic magnetization,it is found that the bilayer will be in the monostable state or bistable state when the external field is absent in the initial magnetization state. The monostable state or bistable state of the bilayer,which determines the angular dependence of exchange bias directly,is controlled by the competition between the exchange anisotropy and uniaxial anisotropy. When the applied field is parallel to the intrinsic easy axes and intrinsic hard axes,one of the switching fields of the hysteresis loop shows an abrupt change,while the other keep continuous by analyzing the magnetization reversal processes. Consequently,the exchange bias field and the coercivity will show a jump phenomenon. The numerical calculations indicate that both the magnitude and direction of the exchange anisotropy will significantly affect the angular dependence of exchange bias. The jump phenomenon of exchange bias is an intrinsic property of the bilayer,which is dependent on the interfacial exchange-coupling constant,the orientation of the exchange anisotropy,the thickness and uniaxial anisotropy constant of the ferromagnetic layer.

关键词： monostable state bistable state intrinstic easy axis intrinstic hard axis switching field

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Quantum secret sharing between multiparty and multiparty with four states

引用

Science China(Physics,Mechanics & Astronomy) 2007年第5期50卷 572-580页

作者： YAN FengLi1, GAO Ting2.& LI YouCheng1 1 college of Physics and Information Engineering, Hebei normal university, Shijiazhuang 050016, China 2.college of Mathematics and Information Science, Hebei normal university, Shijiazhuang 050016, China college of Physics and Information Engineering Hebei Normal University Shijiazhuang China college of Mathematics and Information Science Hebei Normal University Shijiazhuang China

A protocol of quantum secret sharing between multiparty and multiparty with four states was presented. It was shown that this protocol can nullify the Trojan horse attack with a multi-photon signal, the fake-signal attack with Einstein-Podolsky- Rosen pairs, the attack with single photons, and the attack with invisible photons. In addition, the upper bounds of the average success probabilities were given for dishonest agent eavesdropping encryption using the fake-signal attack with any two-particle entangled states.

关键词： quantum secret sharing, security, Einstein-Podolsky-Rosen pairs

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Preparation of recombinant firefly luciferase by a simple and rapid expression and purification method and its application in bacterial detection

引用

Journal of Pharmaceutical Analysis 2010年第2期22卷 97-101页

作者： Qin Xiao1,2.Hui Chen2.Jin-Ming Lin2.1. college of Ocean,Hebei Agricultural {2.,Qinhuangdao 066003 2. The Key Laboratory of Bioorganic Phosphorus chemistry & Chemical Biology,Department of chemistry,Tsinghua {2.,Beijing 100084,China. college of Ocean Hebei Agricultural University Qinhuangdao 066003 China Key Laboratory of Bioorganic Phosphorus chemistry and Chemical Biology Department of Chemistry Tsinghua University Beijing 100084 China

A simple and rapid expression and purification method of recombinant firefly luciferase was developed for bacteria detection. A modified luciferase gene from North American firefly Photinus pyralis was cloned into pET2.a expression vector and the recombinant protein was produced in Escherichia coli BL2.. The recombinant luciferase,equipped with a polyhistidine affinity tag,was purified by immobilized metal ion affinity chromatography (IMAC). The approach generated an abundant expression and an efficient purification of a recombinant luciferase with final yield 1.995mg/L of cell culture. Experiments on the recombinant luciferase also showed that the relative light units (RUL) of the enzyme were 5.8×108,and the specific activity was 2.9×1010 RLU/mg. By applying adenosine triphosphate (ATP) bioluminescence to detection of the coin bacteria using the recombinant protein,the ATP content of bacteria was 9.48×10-16mol/mL,and was identical to the bacteria counts (4500CFU/mL) in order of magnitude. Taken together,our results provided a simple and efficacious method of the preparation of recombinant luciferase,which could be applied in the determination of bacteria via ATP bioluminescence.

关键词： ATP bioluminescence bacterial detection expression firefly luciferase purification

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：