Pr~(3+),Nd~(3+),Eu~(3+)-pmbp配合物及其刘易斯碱三元配合物的超灵敏跃迁现象的研究

研究了Pr~(3+),Nd~(3+),Eu~(3+)-pmbp配合物LnA_3及其刘易斯碱三元配合物LnA_3·tbpo,LnA_3·Phen(A=pmbp~-,Ln=Pr~(3+),Nd~(3+),Eu~(3+))在乙醇、丙酮和苯中的超灵敏跃迁现象,发现Nd~(3+)的~4I_(9/2)→G_(7/2),~4G_(9/2)和~4I_(9/2)→~2G_(7/2)+~4G(5/2)跃迁;Pr(3+)的~3H_4→~1D_2,~3H_4→~3P_0和~3H_4→~3P_1+~1I_6跃迁以及Eu~(3+)的~7F_0→~5D_2跃迁具有超灵敏性.由实验数据计算了Nd(3+)配合物超灵敏跃迁光吸收振子强度值及其增大值,初步讨论了有关规律性.     

CaAl_2_O4:Eu~(3+)的制备、结构及光致发光特性

采用自蔓延燃烧合成技术成功制备了纯净的单相CaAl_2O_4:Eu~(3+)红色荧光体,并采用XRD分析及红外光谱对其进行了表征.结果表明:晶胞属立方晶系,P21/n空间群;晶胞参数a=0.870 0 nm,b=0.810 2 nm,c=1.522 2 nm,β=90.148 5°,Z=12.激发光谱在260～290 nm处带状强激发峰为O~(2-)→Eu~(3+)的电荷迁移带(CTB)跃迁吸收,322,365,387和397 nm处的激发峰分别来自~7F_0→~5H_3,~7F_0→~5L_8,~7F_0→~5G_2,~7F_0→~5L_6的跃迁吸收.发射光谱在579,589,617,655和701 nm处的发射峰分别归属于Eu~(3+)的~5D_0→~7F_J(J=0,1,2,3,4)跃迁发射.SEM显示样品表面光滑、结晶好.     

利用磁圆二色谱研究PVP—Co^3＋配合物的电荷转移跃迁

首次利用MCD研究了聚(4-乙烯基吡啶)—CO~(3+)配合物的电子跃迁及电荷转移跃迁。说明在含有d~6的PVP—Co~(3+)配合物中,不仅有d—d电子跃迁,同时还有金属→配体的t_(2g)→t_(1U)~(π*)电荷转移跃迁,这在吸收光谱中是不好解决的。     

光泵NH3分子亚毫米波激光的模式竞争

采用半经典密度矩阵理论研究了光泵NH3分子亚毫米波激光的P支跃迁(V2∶a→sP(5,4))和Q支跃迁(V2∶a→sQ(5,4))的模式竞争.推导了四能级系统的激光介质的增益表达式;采用迭代法,数值计算了不同工作条件下的P支跃迁和Q支跃迁的输出光强,得到了模式竞争的规律:在压强较低的情况下,P支跃迁占优势;在压强较高情况下,Q支跃迁占优,但光强很弱并受到严重的自吸收效应所抑制.计算结果与实验相符.     

利用表面光电压谱研究MEH-PPV定域跃迁

利用外场调制的表面光电压谱研究聚合物材料MEH-PPV的定域跃迁（350 ~420 nm）与非定域跃迁（420~600 nm）. 实验证明, 定域跃迁是由于电子从价带向导带中定域态能级跃迁的结果.     

微波辅助合成色控型CMC-Tb/Eu纳米复合物的荧光性质

微波辅助下通过共同沉淀法制备了一系列可色控的CMC-Tb/Eu复合物,并通过SEM-EDS、TEM、XPS、UV-Vis,荧光光谱和荧光寿命检测等方法考察了复合物的形貌、结构、荧光性能以及能量转移特征.结果表明:CMC-Tb/Eu复合物的表面与CMC的相比裂痕多,有小粒子集聚于CMC表面,颗粒为实心结构,平均直径为75~98 nm;纳米复合物中金属离子都与CMC分子链上的—OH、—COO~-以及—COC—中O原子发生配位键合和离子;CMC为主要的光能量吸收体,在其与稀土离子的能量传递过程中,传递给Tb~(3+)的效率要远大于传递给Eu~(3+);在激发光为350 nm下,CMCTb/Eu发射光谱中存在~5D_4→~7F_5(544 nm)和~5D_4→~7F_6(489 nm)Tb~(3+)跃迁峰;589 nm和616 nm附近的两个发射峰是由Tb~(3+)的~5D_4→~7F_3和~5D_4→~7F_4跃迁以及Eu~(3+)的~5D_0→~7F_1和~5D_0→~7F_2跃迁叠加所致;实现了荧光光色可控.Tb~(3+)的~5D_4→~7F_5跃迁峰强度变化以及纳米复合物的荧光寿命变化证明了纳米复合物存在Tb(Ⅲ)Eu(Ⅲ)能量转移.     

原子核的有限体积效应对高离化态类氢元素内壳层电偶极跃迁几率的影响

在全相对论框架下计算了Fermi核模型和点电荷核模型下计算的高离化态类氢离Z=80~116、主量子数n=1~3壳层的所有可能的E1跃迁的电偶极跃迁几率差△A随质量数A的变化关系。计算表明,原子核的有限体积效应对中高Z类氢元素内壳层跃迁几率有着显著的影响,在相关的高精度计算中必须考虑其影响。     

晶体CsFeCl_3的自旋极化MS-X_a计算

本文采用自旋极化的MS-X_a方法,在晶体CsFeCl_3的实际的D_3d低对称品场下计算了络离子(FeCl_b)~(4-)的电子结构。给出了单电子本征值和本征函数和自旋极化分裂,用过渡态理论计算了部分光学跃迁和电荷转移跃迁的能量。     

GaP:V~(3 )自旋允许谱的精细结构的研究

在GaP :V3 晶体中 ,对 3 A2  3 T1(F) ,3 A2  3 T1(P)以及3 A2  3 T2 (F) 3组自旋允许跃迁均已在实验中测得了它们的精细结构 .同时考虑静电、晶场和自旋 轨道耦合作用 ,计算了GaP :V3 的旋轨耦合分裂 ,理论计算与实验符合很好 .此外 ,还对这 3组自旋允许跃迁的精细结构进行了识别 ,结果表明 ,3 A2 3 T1(P)跃迁的 3条 13874,13890和 13946cm-1分别对应E′ T′2 ,T1′ 和A′;3 A2  3 T1(F)跃迁的 3条锐线86 97,8711和 876 0cm-1分别对应A′ T′2 ,E′ 和T1′;而3 A2  3 T2 (F)跃迁的 3条锐线 6 382 ,6 397和6 399cm-1则分别对应T′2 ,T1′ 和E′.     

用共振群方法计算~7Be的~3He-~4He集团态的E2、M1跃迁

该文假定~7Be的基态和第1,2,3激发态是~3He-~4He集团态,用共振群方法(RGM)计算这些态的本征能量和本征函数,并用这些函数计算了这些态之间的M1、E2跃迁几率,所得结果与实验基本符合,说明了~7Be的基态和第1,2,3激发态主要是~3He-~4He集团态,也说明了用RGM来研究核的集团态是很有效的,特别是理论计算的跃迁与实验的符合说明了计算中求得的各态的波函数是比较好的。     

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     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the