Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

富勒烯光限幅技术研究新进展

介绍了富勒烯激发态吸收光限幅以及激发态吸收和其它非线性光学效应共同作用的复合型光限幅技术的研究新进展。分析了今后的研究方向。     

Gas diffusion and dielectric studies of polystyrene‐fullerene compositions

Polystyrene‐fullerene compositions containing up to 0.45 mol % (3 wt %) fullerene C₆₀ were investigated. It was established that the addition of fullerene to polystyrene (PS) leads to an increase of molecular packing density and so influences the transport of small molecules through the polymer films. Gas diffusion through films of PS‐fullerene compositions is slower than through PS films, and gas separating properties of compositions are higher. Dielectric studies showed that the fullerene is distributed as clusters in the polymer matrix of solid composition prepared from a toluene solution of PS and fullerene. Heating without air to the temperature higher than PS glass transition leads to increasing relaxation time of α‐transition in PS of compositions containing >0.15 mol % (1 wt %) fullerene. This effect is caused by rather strong interaction of PS chains via fullerene molecules entered into the PS‐fullerene complex. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 85: 2946–2951, 2002     

氟化活性炭纤维对极性分子的吸附

将活性炭纤维（ACF）与氟气反应制备出氟化活性炭纤维（FACF），根据将FACF与参照试样XPS的对比，碳原子是以sp^3杂化轨道同氟原子形成共健键。αs图分析氮吸附等温线的线果表明，ACF氟化后其比表面积和微孔容积都显著降低，微孔宽度基本不变，ACF的水吸附等温线呈V型，而FACF对水的吸附量极小；FACF的微孔表面具有完美的憎水性和高稳定性，乙醇和甲醇在ACF上的吸附等温线是Ⅰ型，在FACF上接近于Ⅰ型，但吸附量显著降低。     

Synthesis and surface properties of novel fluoroalkyl end-capped amphiphilic fullerene cooligomers

New fluoroalkyl end-capped fullerene cooligomers were prepared by the reactions of fluoroalkanoyl peroxides with fullerene and comonomers such as acryloylmorpholine, N,N-dimethylacrylamide and acrylic acid. These fluorinated fullerene cooligomers were easily soluble in water and common organic solvents, and were able to reduce the surface tensions of both water and benzene, quite effectively. Additionally, these fullerene cooligomers were found to form a stable monomolecular film at the air-water interface, and the modified polystyrene surface treated with these cooligomers was shown to have a strong hydrophilicity with good oil repellency.     

钨青铜(TB)型晶体材料的分子设计及其新进展

在TB型晶体结构讨论的基础上，着重阐述分子设计的方法在TB型晶体材料研究中的具体运用，以及近年来所取得的新进展；指出了国内在TB型晶体材料研究方面与国外存在的差距和今后的努力方向。     

液晶分子附着能和盒间隙对响应时间的影响

通过理论分析和实验研究液晶分子附着能和液晶盒间隙对响应时间(τ0)的影响。用液晶盒有效间隙法和表面动力学方程法两种方法推出分析公式,由这两种方法推出的结果是一致的。实验数据与简化方程τ0-dx基本拟合(其中d是液晶盒的间隙,x是指数)。在两种极端的(极大或极小)附着能极限下,指数x分别接近2和1。这个结论有助于优化液晶显示器件的应用。     

掺富勒烯SiO2气凝胶的制备与发光性质研究

本文利用溶胶－凝胶工艺成功地将富勒烯掺入了ＳｉＯ２气凝胶的纳米孔洞中，在Ａｒ＾＋离子激光激发下，观察到了很强的可见光发射，对该现象作了初步的解释。