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     

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.     

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。     

水溶性富勒烯衍生物的设计合成及在生物医药中的应用

介绍了水溶性富勒烯衍生物在抗艾滋病、DNA的裂解、消除自由基和抗菌等方面的应用,及一些水溶性富勒烯衍生物的设计合成。     

季戊四醇的超分子化学

介绍季戊四醇的超分子化学,包括超分子网状结构、螺环冠醚、非常规液晶、富勒烯衍生物、固相光催化反应、Janus树枝状分子等等。     

C32C60C180、C60@C180富勒烯分子的压缩力学特性

采用Tersoff-Brenner势与L—J势的分子动力学方法，研究了双石墨层作用下C32、C60、C180以及C60@C180富勒烯分子的压缩力学特性。根据计算结果，讨论了几种富勒烯压缩过程中的变形、能量、压缩栽荷等的变化及其差异。研究表明，由于分子几何构形上的差异，压缩时，C180出现了明显的“塌陷”现象，“塌陷”过程中，能量及外载荷一度下降；几种富勒烯压缩时的能量吸收能力排序为：C32〉C60〉C60@C180〉C180，承载能力的排序为：C60@C180〉C180〉C60〉C32。     

纳米科技重大发现--富勒烯结构二硫化钼类纳米材料的研究进展

本文简要介绍富勒烯结构的纳米材料的研究开发现状，阐述了这类纳米材料的制备方法和形成机理，旨在指出这类材料具有重要的科学研究价值和潜在的应用价值。