(C_5H_(11)N_2)~+和(C_7H_(12)N_2)~(2+)的NMR研究

结合1H NMR,13C NMR谱,分别对钨、钼配合物{WO2(C10H6O2)2(C5H11N2)2[H2N(CH2)3NH2]}3(1),{(C5H11N2)2[H2N(CH2)3NH2][MoO2(C10H6O2)2]}(2),{(C7H12N2)2[MoO2(C10H8O2)2]}(3)晶体结构中小分子环进行了归属.其中,配合物1和2中(C5H11N2)+的NMR研究证实了六元环由1,3-丙二胺和乙腈化合而成,配合物3中(C7H12N2)2+的NMR谱图证实了七元环由乙二胺和乙酰丙酮化合而成,并且推导出这些亲核加成-消除反应的反应机理.配合物1~3中的小分子环的合成在其它体系中尚未见报导,而在合成它们的反应中作为新产物随主体晶体析出,并由晶体结构解析和NMR得到了证实.     

Diffusion of Au atoms and (5×2) phase formation on the Si(111) (7×7) surface

In this article we investigate the complex 1D mesoscopic model of adatom diffusion and the evolution of an ordered phase on the substrate surface. The analysis of the theoretical model is compared with the experimental results of the spreading of Au adatoms on Si(111)-(7×7) surface. The steady state solutions and their stability conditions are determined within the concept of the traveling-wave solution. It is shown that the formation of the ordered phase (5×2) and the difference in the diffusion of Au on (7×7) and on (5×2) structure results in a sharp edge of diffusion front which corresponds to the coverage of a saturated (5×2) phase. This edge moves linearly in time and α can be determined by experiment. The system of model equations enables the damped waves solution or temporary evolution of two steps.     

(SiO_2)_n~-(n≤7)团簇的密度泛函研究

采用密度泛函理论中的广义梯度近似对(SiO2)n-(n≤7)负离子团簇的几何构型进行了优化,并对能量和频率进行了计算.通过对计算结果的分析发现,与近邻尺寸的团簇比较,(SiO2)4-团簇最低能量结构更加稳定;(SiO2)n-(n≥4)团簇的最低能量结构是以(SiO2)4-为基础结构,具有一定的生长规律.     

(FeCp_2)_(0.65)[Ni(C_3S_7)_2]的合成及表征

合成了一种新型的导电配位型化合物(FeCp2)0.65[Ni(C3S7)2]。通过元素分析(EA),电感耦合等离子体原子发射光谱(ICP-AES),核磁共振(1HNMR),紫外光谱(UV)对该化合物进行了表征。     

Geometric magnetic frustration in Ba(2)Sn(2)Ga(3)ZnCr(7)O(22): a two-dimensional spinel based Kagomé lattice

The properties of a two-dimensional geometrically frustrated magnetic material based on the Kagomé net, Ba(2)Sn(2)ZnGa(3)Cr(7)O(22), are reported. The Kagomé net is fully filled with magnetic ions. A Curie-Weiss theta theta(W) = -312 K is found with a spin glass transition at approximately 1.5 K, indicating strong geometrical magnetic frustration. This compound is the most two dimensional of a structural series with the geometrically frustrated materials ZnCr(2)O(4) and SrCr(8)Ga(4)O(19). The comparison of their properties tests the influence of different degrees of coupling between Kagomé layers on magnetic frustration within a single chemical and structural family.     

YBa_2Cu_(3-x)Ni_xO_(7-y)体系的热稳定性和超导电性

制备了YBa_2Cu_(3-x)Ni_xO_(7-y)(x=0.025,0.05,0.075,0.1,0.25和0.5)系列单相样品.测量了样品的热分解温度、电阻-温度关系.发现:随着 x 值的增大,样品的热稳定性下降.T_c 下降,同时电阻率ρ增加.热稳定性与 T_c、ρ之间呈规律性地变化.我们认为,样品的热稳定性越差,晶格的振动越大,从而导致对电子的无规散射增强.这也许正是该系统中明显的电子局域化效应的起因.     

YBa_2Cu_(3-x)Sn_xO_(7-y)体系的结构及超导电性

本文系统地研究了 Sn 含量对 YBa_2Cu_(3-x)Sn_xO_(7-y)体系超导电性和结构的影响.结果发现,在 x=0—1.1范围,该体系的零电阻温度均在90K 以上.当 x≥1.3时,在液氮温区不超导.X 射线衍射分析表明,该体系中的123相和未知新相的结构随 Sn 含量的增大呈现有规律的变化.结合透射电镜的分析,初步得出此新相可能是结构畸变了的 BaSnO_3;123相中,当x=1.0时,在123相中约有0.2个 Cu 被取代.占 Cu 总量的6%左右.由此我们认为:Sn替代 Cu 后新生成的相在较宽广的组分范围调制了123相的结构,稳定了123相.少量的 Sn进入123相后,替代了 Cu-O 链中 Cu 的格位,破坏了 Cu-O 链,但仍保持90K 以上的超导性,由此表明 Cu-O 链对高温超导可能不起主要作用.     

YBa_2Cu_(3-x)Zn_xO_(7-y)体系的超导电性和热稳定性

制备了 YBa_2Cu_(3-x)Zn_xO_(7-y)系列单相样品,X-射线衍射法分析了样品的结构,测量了各样品的 R-T 关系和热分解温度.首次在该体系中发现了 Cu-O 而支配超导电性的实验证据.实验还表明.随着 x 值的增大,样品的热分解温度从1007℃ 逐渐降低到940℃.热稳定性与结构参数、超导电性有较强的关联.     

Y_(3-x)Ba_xCu_2O_(7-y)体系的物相与超导电性

对Y_(3-x)Ba_xCu_2O_(7-y)(0.3≤x≤2.4)体系材料的低温电阻测量和X射线衍射分析表明:1.0相似文献   

双层钙钛矿锰氧化物Nd_(2-2x)Ca_(1+2x)Mn_2O_7(x=0.4,0.5)的磁相变特性

利用固相反应法制备了Nd2-2x Ca1+2x Mn2O7(x=0.0-0.9)多晶样品,通过FULLPROF程序对样品X射线衍射图谱进行了精修,样品的空间群为14/mmm.测量了样品x=0.4,0.5的磁性(5K相似文献   

YBa_2Cu_3O_(7-y)单晶体的研制

用助熔剂缓冷法成功地生长出了YBa_2Cu_3O_(7-y)单晶体。晶体的最大尺寸可达2×1×0.5mm~3。单个晶粒的粉末X射线衍射确认该晶粒为正交的YBa_2Cu_3O_(7-y)相。劳厄照相证明此晶粒为单晶体。对上述单晶体的交流磁化率测量表明,该晶体的超导转变温度为90.5K。对生长中观察到的一些现象也进行了简单讨论。     

Possible spin singlet quadrumerization in Pb2Re2O(7-δ)

A single crystal of pyrochlore Pb(2)Re(2)O(6.75) was prepared by hydrothermal synthesis, and its magnetic and transport properties were investigated. Pb(2)Re(2)O(6.75) shows the metallic conduction with an anomalous second-order structural phase transition at T(s)=294 K, in which the magnetization and the structure change similarly to that at 200 K of the superconductor Cd(2)Re(2)O(7). A three-dimensional Ising-like order parameter probed by the atomic displacement suggests that an unconventional spin singlet state is possibly realized in the ground state of Pb(2)Re(2)O(6.75), in which four spins make a quadrumer in order to remove the spin frustration of the pyrochlore lattice.     

Monochromatic soft X-ray-induced reactions of CCl2F2 adsorbed on Si(111)-7 × 7 near the Si(2p) edge

Continuous-time photoelectron spectroscopy (PES) and continuous-time core-level photon-stimulated desorption (PSD) spectroscopy were used to study the monochromatic soft X-ray-induced reactions of CCl₂F₂ molecules adsorbed on Si(111)-7 × 7 at 30 K (CCl₂F₂ dose = 2.0 × 10¹⁴ molecules/cm², ~ 0.75 monolayer) near the Si(2p) core level. Evolution of adsorbed CCl₂F₂ molecules was monitored by using continuous-time photoelectron spectroscopy at two photon energies of 98 and 120 eV to deduce the photolysis cross section as a function of energy. It was found that the photolysis cross sections for 98 and 120 eV photons are _~1.4 × 10^? 18 and ~ 8.0 × 10^? 18 cm², respectively. Sequential F⁺ PSD spectra obtained by using continuous-time core-level photon-stimulated desorption spectroscopy in the photon energy range of 98–110 eV show the variation of their shapes with photon exposure and depict the formation of surface SiF species. The dissociation of CCl₂F₂ molecules adsorbed on Si(111)-7 × 7, irradiated by monochromatic soft X-ray in the photon energy range of 98–110 eV, is mainly due to dissociative electron attachment and indirect dipolar dissociation induced by photoelectrons emitted from the silicon surface.     

YBa_(2-x)Pr_xCu_3O_(7-δ)体系中的Pr替代效应

报道了YBa_(2-x)Pr_xCu_3O_(7-δ)(0≤x≤0.15)体系的超导电性和正常态输运性质的测量。实验结果表明随着Pr在Ba晶位替代量的增加,超导转变临界温度T_c和由Hall系数推算的荷电载流子浓度P_H均单调下降。通过与Y_(2-x)Pr_xBa_2Cu_3O_(7-δ)和Nd_(1 x)Ba_(2-x)Cu_3O_(7-δ)体系的比较研究,作者发现上述三个体系的T_c变化均与载流子浓度的变化相关联。作者进而提出,在YBa_(2-x)Pr_xCu_3O_(7-δ)体系中Pr的空穴填充效应导致可迁移空穴浓度下降,从而压制T_c;而在Y_(2-x)Pr_xBa_2Cu_3O_(7-δ)体系中载流子浓度的下降则是主要来源于Pr替代对空穴的局域作用,T_c同样被压制。Pr的拆对效应不明显。     

Thermal-energy Pooling Collisions in Cesium Vapor 6P_(3/2) 6P_(3/2) →7P_J 6S_(1/2)

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Y(Ba_(1-x)Gd_x)_2Cu_3O_(7-δ)的临界电流密度特征

多晶样品Y(Ba1-xGdx)2Cu3O7-δ(YBGCO)(x=0.0,0.02,0.03,0.05,0.08,0.10)是由标准固相反应法制备获得。XRD的Rietveld精修显示,Gd成功地部分替代YBa2Cu3O7-δ(YBCO)晶胞中的Ba位。实验结果表明,对于某一固定磁场Y(Ba1-xGdx)2Cu3O7-δ的临界电流密度(Jc)在x=0.05有最大值。此外,尽管YBGCO的超导温度(Tc)明显地单调下降,但微量的Gd掺杂导致磁场中YBGCO的Jc的提高。Jc随着Gd掺杂量不同而变化的特征行为可以认为,是由Gd掺杂引起的两种不同的效果竞争共同作用造成的,即纳米尺度范围内空间分布不均匀性和超导性的变化。     

YBa_2(Cu_(1-x)Sn_x)3O_(7-y)超导体的磁弛豫和钉扎

我们制备了一组 YBa_2(Cu_(1-x)Sn_x)_3O_(7-y)多晶超导样品,在77K 时测量了它们的磁滞回线和增场磁弛豫率,计算了它们的钉扎势 U_0结果表明,在相同制备工艺条件下,掺锡样品的钉扎势比不掺锡(x=0)样品的高.结合 TEM、X-射线衍射和喇曼谱分析结果,我们认为YBa_2Cu_3O_(7-y)超导体中的位错不是主要钉扎中心,掺锡样品中的β-Sn 正常粒子可能是有效的钉扎中心.     

基于La_(1.4)Ca_(1.6)Mn_2O_7结构、电输运及磁性研究(英文)

我们制备了名义成分是La1.4 Ca1.6 Mn2 O7的多晶样品,并且研究了它的结构、磁性和电性.利用Rietveld方法对X射线衍射数据进行精修的结果表明,该La1.4 Ca1.6 Mn2 O7是由钙钛矿锰氧化物La0.66 Ca0.34 MnO3和氧化钙CaO组成的复相混合物.其中,La0.66 Ca0.34 MnO3占相成分的大部分,而CaO占小部分.我们对比了该名义组分样品La1.4 Ca1.6 Mn2 O7和La0.7 Ca0.3 MnO3的铁磁居里转变温度和绝缘体-金属转变温度,结果表明该La1.4 Ca1.6 Mn2 O7的磁输运性质是由其中的钙钛矿相成分决定的.所有的这些结果表明,名义组分样品La1.4 Ca1.6 Mn2 O7实际上并没有形成所谓的Sr3Ti2O7型的双层结构,而实际形成的是以钙钛矿结构作为主相的复相混合物.     

层钙钛矿Nd_(1.05)Eu_(0.15)Sr_(1.8)Mn_2O_7的类Griffiths相研究

采用传统固相反应法制备了Nd_(1.05)Eu_(0.15)Sr_(1.8)Mn_2O_7多晶样品.通过测量样品磁化强度随温度(M-T)和外场(M-H)的变化曲线,得出样品在整个测量温区内随温度降低经历了多次磁转变:样品在类Griffiths相温度(TG≈261K)以上,处于纯顺磁态;在TG以下可能存在类Griffiths相;在三维铁磁有序温度T3D(≈87K)和TG之间,表现为铁磁-顺磁共存态;在奈尔温度TN(≈60K)与T3D温区内,样品铁磁性随温度降低而增强;当低于TN时,样品中铁磁性和反铁磁性相互作用竞争,表现出类团簇自旋玻璃的行为.