含硫金属簇合物的设计合成及其性能研究

本着重介绍了几类含硫及含硫膦混配的金属簇合物的设计合成，并简要地讲述了一些金属簇合物的性能。     

劈开组合法合成新结构和新成键的金属羰基簇合衍生物

介绍了一种独特而有效的合成新结构和新成键的金属簇合物的“劈开组合法”：利用含有多种可配原子（Ｃ、Ｎ或Ｐ、Ｓ）的前配体与二元金属羰合物的反应，前配体在不同位点的劈开，提供多样化的分子片充当各种配体，与金属羰合物组建生成各种新结构和新成键的三至七核的金属羰基簇合衍生物，由此得到一系列新型的含端卡宾碳配位基和二齿桥基的三核铁或钴簇，以及多种罕见的含半填隙磷原子和复杂含磷硫桥基的六核和七核钴簇。它们当中，     

某些簇合物金属—金属键性质的研究

采用CNDO法对某些金属簇合物进行理论计算,在杂化轨道基础上对它们的金属—金属键进行了Mulliken集居分析.结果表明,金属—金属键中存在d·pπ键,d·pπ键与簇合物骨架的几何构型密切相关.此外,金属—金属键是弯键.     

多金属氧酸盐基稀土金属簇合物在癌症诊断和治疗中的潜在应用

近年来,多金属氧酸盐（POMs）被认为是有前途的抗癌药物,因其具有氧化还原性、亲核性、高溶解性和稳定性,以及表面电荷分布和可调的分子结构,在抗癌领域呈现出广泛的应用前景.稀土（RE）金属簇合物具有丰富的光、电、磁等特性,利用POMs的结构特性作为无机氧-供体配体构筑丰富的多金属氧酸盐基稀土金属簇合物,将两者的优势进行整合,为癌症诊断和治疗领域提供了新思路.文章介绍了多金属氧酸盐基稀土金属簇合物的分类及其在癌症诊断和治疗中的潜在应用.     

等价式在簇合物中的应用

介绍了分子或复杂离子的等价式概念，等价式与分子或复杂离子具有相同的价电子数．等价式与分子或复杂离子的结构及它们中的每个原子的成键情况是紧密联系的，同时等价式仅与价电子有关，而与内层电子无关．在等价式中，各种键型之间存在着明确的数学关系式，这个数学关系式完全适用于任何类型的化合物，并且无任何错误之处，同时也扩大了半拓扑图式理论的应用范围．簇合物中存在的键型种类多，成键情况比较复杂．列出了主族原子簇合物和过渡金属簇合物中各种键型之间所符合的数学关系式，这样等价式概念在簇合物中得到了应用，处理结果令人满意。     

过渡金属原子簇化合物金属-金属成键作用的研究

本文论证了由分子轨道近似得到的约化重迭集居数ＰＭＭ’与约化能量矩阵元的线性关系，并计算了若干典型过渡金属簇合物的ＰＭＭ’，指出以ＰＭＭ’作为表示金属间成键作用的指标能较好地解释键强与键长、桥基电负性、金属ｄ电子数以及配体间的关系。     

碳载Pt-Au催化剂对氧的电催化还原反应

通过金属簇合物途径制备了碳载Pt-Au双金属纳米电催化剂.X-射线衍射和透射电镜结果表明合成的双金属纳米催化剂具有平均粒径小、粒径分布窄、相对结晶度低等特点.合成的Pt-Au/C催化剂经600℃热处理后粒径变化不大,表明合成的双金属催化剂具有较好的热稳定性.与商业化E-TEK Pt/C催化剂相比,该催化剂对氧气还原反应呈现了较高的电催化活性.     

高核过渡金属簇合物的电子计数规则的研究

文章介绍了高核过渡金属簇合物的各种电子计数规则的研究现状.高核过渡金属簇合物的电子计数规则的公式可表示为NVE=2(4 n_s+9 M_s-L_s+L_i+xM_i+Z)+K.其中,NVE表示簇合物的价电子数.n_s和M_s分别表示整个骨架表面上拥有的主族原子数和过渡金属原子数.Ls表示骨架表面上的边数.Mi项表示填隙过渡金属原子数.Li表示由填隙原子间所形成的边数.x是M_i项的系数,填隙过渡金属原子不与其他填隙过渡金属原子生成化学键时,x=0;填隙过渡金属原子M_i项与其他填隙过渡金属原子生成化学键时,x=1.Z表示用Wade规则或Lauher的EHMO方法计算的NVE值与用稀有气体规则计算的NVE值之差的二分之一.M_(i0)表示被埋藏在Z值大于零的分骨架内部的填隙过渡金属原子,它可看作仅提供价电子的配体.n_s项必须参与形成埋藏M_(i0)项的Z值大于零的分骨架.L_i不能由M_(i0)和其他原子组成.K表示成单的价电子数.     

新型含胺基膦配体的钌羰基簇合物HRu_3{μ_3-η~2-P(NEt_2)_2}(CO)_9的合成和结构

本文用 Ru_3(CO)_(12)和二(二乙胺)氯化膦(Er_2N)_2PCl 在较温和条件下反应得到了一个具有新结构和新配位方式的三核簇合物 HRu_3{μ_3-η~2-P(NEt_2)_2}(CO)_3.该簇合物的结构特点是由于配体中磷原子和一个氮原子组成桥参与配位而形成一千五员 Ru_3PN 稳定骨架结构,我们对该簇合物进行了元素分析和 IR,HNMR,MS 表征工作,并进行了 x-光单晶结构分析     

负载型金属簇催化剂的结构表征

综述了XRD，CO-FTIR，EXAFS，XPS，HRTEM等物化方法在负载型金属簇催化剂的结构性能(包括金属分散度、表面结构、电子状态)等方面的应用。为更好地认识和使用负载型金属簇催化剂提供了可靠的依据。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with