Studies on the Formation, Stability, Reactivity and Superconductivity of Pentagon-fused Fullerenes

依据拓扑学，富勒烯存在着数量庞大的异构体，然而仅有少量的富勒烯结构可以稳定存在。而其中最为人们熟悉的，则是符合独立五元环规则(IPR)的Ih-#1812C60和D5h-#8149C70。大量的其它富勒烯异构体由于其结构中不可避免地存在相邻五元环，具有很高的化学活性，很难以纯碳笼的形式被合成和分离出来。因此，有关于富勒烯的研究大多都集中在Ih-#1812C60和D5h-#8149C70上。最近本课题组从氯气氛的石墨电弧产物中分离出了一系列具有明确的单晶结构表征的non-IPR氯化富勒烯，使得实验研究non-IPR富勒烯成为可能。 自富勒烯被发现以来，富勒烯的形成机理一直是个悬而未决的问题。本文...Despite of the huge number of fullerene isomers in topology, only a tiny fraction of them can survive in air. The most notable fullerenes are Ih-#1812C60 and D5h-#8149C70 which obey the famous isolated pentagon rule (IPR). Numerous fullerene isomers violate IPR and thus render them chemically reactive. Outside the gas phase, they are hard to be synthesized in the form of pure all-carbon molecules....学位：理学博士院系专业：化学化工学院化学系_无机化学学号：2052007015358

Carbon arc production of heptagon-containing fullerene[68]

通讯作者地址: Xie, SY (通讯作者),Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China 2. Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, Xiamen 361005, Peoples R China 3. Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Peoples R China 4. Xiamen Univ, Coll Chem & Chem Engn, Dept Chem Engn, Xiamen 361005, Peoples R China 电子邮件地址: [email protected], [email protected], [email protected] carbon heptagon ring is a key unit responsible for structural defects in sp(2)-hybrized carbon allotropes including fullerenes, carbon nanotubes and graphenes, with consequential influences on their mechanical, electronic and magnetic properties. Previous evidence concerning the existence of heptagons in fullerenes has been obtained only in off-line halogenation experiments through top-down detachment of a C(2) unit from a stable fullerene. Here we report a heptagon-incorporating fullerene C(68), tentatively named as heptafullerene[68], which is captured as C(68)Cl(6) from a carbon arc plasma in situ. The occurrence of heptagons in fullerenes is rationalized by heptagon-related strain relief and temperature-dependent stability. (13)C-labelled experiments and mass/energy conservation equation simulations show that heptafullerene[68] grows together with other fullerenes in a bottom-up fashion in the arc zone. This work extends fullerene research into numerous topologically possible, heptagon-incorporating isomers and provides clues to an understanding of the heptagon-involved growth mechanism and heptagon-dependent properties of fullerenes.NNSF of China 21031004 21021061 20973137 20876127 973 Program 2007CB815300(1,7) 2011CB93590

Chlorofullerenes featuring triple sequentially fused pentagons

通讯作者地址: Tan,YZ(通讯作者),Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China 2. Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, Xiamen 361005, Peoples R China 电子邮件地址: [email protected], [email protected] triple sequentially fused pentagons (TSFP) motif is one of the basic subunits that could be used for constructing fullerenes, but it violates the isolated pentagon rule (IPR) and has not been found in carbon cages to date. The properties of TSFP-incorporating fullerenes are thus poorly explored both theoretically and experimentally. Reported herein are four chlorinated derivatives of three different fullerene cages, all with the TSFP motif. X-ray crystallographic analyses indicate that the molecular strain inherent to the pentagon adjacency of a TSFP is significantly relieved upon exohedral chlorination, leaving one of the four pentagon fusion sites unsaturated and rendering the present derivatives chiral. This unique reactivity, in stark contrast to that of previously reported non-IPR fullerenes containing double fused pentagons or triple directly fused pentagons, can be rationalized by density functional theory calculations, and are expected to stimulate further studies of these new members of the fullerene family, both theoretically and experimentally.NNSF of China 20525103,20531050,20721001,20423002 20673088 973 Program 2007CB81530

Two I-h-symmetry-breaking C-60 isomers stabilized by chlorination

通讯作者地址: Xie, SY (通讯作者), Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China 2. Xiamen Univ, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China 电子邮件地址: [email protected] abiding surprise in fullerene science is that I-h-symmetric buckminsterfullerene C-60 (ref. 1) (I-h-C-60 or C-#1,812(60), the nomenclature specified by symmetry or by Fowler's spiral algorithm(2)) remains the sole C-60 species experimentally available. Setting it apart from the other 1,811 topological isomers (isobuckminsterfullerenes) is its exclusive conformity with the isolated-pentagon rule(3), which states that stable fullerenes have isolated pentagons. Although gas-phase existence of isobuckminsterfullerenes has long been suspected(4-7), synthetic efforts have yet to yield successful results. Here, we report the realization of two isobuckminsterfullerenes by means of chlorination of the respective C-2v-and C-s-symmetric C-60 cages. These chlorinated species, (C60Cl8)-C-#1,809(1) and (C60Cl12)-C-#1,804(2), were isolated in experimentally useful yields. Structural characterization by crystallography unambiguously established the unique pentagon-pentagon ring fusions. These distinct structural features are directly responsible for the regioselectivity observed in subsequent substitution of chlorines, and also render these unprecedented derivatives of C60 isomers important for resolving the long-standing puzzle of fullerene formation by the Stone-Wales transformation scheme(8-11).NNSF of China,20525103 ,20531050 ,20721001 , 20571062 ,20425312 973 Program 2007CB81530

OBS网络基于光缓存的多优先级业务冲突研究

光突发交换（OBS）网络是下一代IP over WDM光网络的典型代表。文章对配置有光缓存的OBS网络核心节点中发生的多优先级业务冲突问题进行了性能分析,给出了不同优先级数据包的丢失率和平均等待时延,研究结果可以为OBS网络的实用化提供理论参考

我国北方重点煤电基地发展伴生的水资源压力分析

鉴于煤电基地的快速扩张会给区域水资源保障带来极大的压力，运用生命周期评价方法计算了２００６～ ２０１５年我国北方九大煤电基地煤炭生产和火力发电的水足迹，提出了虚拟水流出伴生的水资源压力指数，评 价了煤电虚拟水外送给当地水资源系统造成的压力，分析了未来煤电基地发展的水资源适配性。结果表 明， 九大煤电基地煤炭生产和火力发电的年均水足迹为１３．４&times;１０８ｍ３，占当地淡水资源可用总量的２２．８％，煤 炭 和电力外送伴生的虚拟水流出总量持续增加，增长率为３０３１．９&times;１０４ｍ３／ａ，近１０年来，水资源压力指数呈现 上升趋势，六个煤电基地达到中度压力等级，造成巨大的水资源压力；２０２０年，九大煤电基地总水足迹为 １５．７&times;１０８ｍ３，区域可供给煤电基地的水资源量为１１．９&times;１０８ｍ３，只有晋北和准东的水资源满足未来基地扩张 需要；晋中、晋东、陕北和鄂尔多斯通过优化调度等增加区域可供水量后可以满足未来生产需要；宁东和哈 密 发展所需的水资源与供给能力严重不适配，应调整发展战略，保障基地用水安全。</div

C60异构体的氯化物及其衍生物和合成与分离方法

申请号：200810070717.8 申请日：2008.03.07 名称：C60异构体的氯化物及其衍生物和合成与分离方法 公 开(公告)号：CN101274756公开(公告)日：2008.10.01 主分类号：C01B31/02(2006.01)I 分案原申请号： 分类号：C01B31/02(2006.01)I 申请(专利权)人：厦门大学 地 址：361005福建省厦门市思明南路422号 发 明 (设计)人：谢素原;黄荣彬;韩 晓;谭元植;廖照江;钱卓真;梁 华;陈睿婷;朱 峰;高志勇;郑兰荪 专利 代理 机构：厦门南强之路专利事务所 代理人：马应森C60异构体的氯化物及其衍生物和合成与分离方法，涉及C60异构体。提供两种C60异构体的氯化物#1809C60Cl8和#1804C60Cl12，C60异构体的氯化物#1809C60Cl8的衍生物#1809C60Cl4(C6H5)4 和#1809C60(OCH3)8，C60异构体的氯化物#1804C60Cl12的衍生物#1804C60(OCH3)12；以及两种C60 异构体的氯化物#1809C60Cl8和#1804C60Cl12的合成与分离方法，C60异构体的氯化物#1809C60Cl8 的衍生物#1809C60Cl4(C6H5)4的合成方法，C60异构体的氯化物#1809C60Cl8的衍生物#1809C60 (OCH3)8的合成方法，C60异构体的氯化物#1804C60Cl12的衍生物#1804C60(OCH3)12的合成方法

Power system abnormal data identification method

本发明涉及一种电力系统异常数据辨识方法，包括将电力系统正常数据作为训练样本，训练神经网络；将待检测数据输入训练后的神经网络，获得残差序列；基于仿射传播聚类算法对残差训练进行聚类；根据各个类别的特征和类内距离进行异常数据判断。本发明利用混沌粒子群算法来进行神经网络训练，同时采用仿射传播聚类算法来实现数据聚类，能够显著降低计算量，同时不依赖采样分布，有效地提高了电力系统异常数据辨识的准确性

C-2v-Symmetric C-60 Isomer in the Gas Phase: Experimental Evidence against Buckminsterfullerene (I-h-C-60)

Pure non-IPR (isolated-pentagon-rule) C-60 isomer has rarely been investigated experimentally. The recently reported availability of (C60Cl8)-C-#1809 opens an avenue for experimental investigation of C-#18098(60), a C-2v-symmetric C-60 isomer having two pairs of fused pentagons. Herein, the experiments on C-#1809(60) were performed oil the basis of thermal dechlorination of (C60Cl8)-C-#1809 in the solid state and gas phase. (C60Cl6)-C-#1812 was employed for comparative study. As determined by Raman and other methods, C-#1809(60) from thermal decomposition of (C60Cl8)-C-#1809 crystals readily coalesces to form carbon solid with a collapsed crystal lattice. In contrast, dechlorination via thermal spray of (C60Cl8)-C-#1809 in the gas phase is feasible for investigation of monodispersed all-carbon C-60 isomer, because the existence of C-#1809(60) in the gas phase has been confirmed by experimental evidence from mass spectrometry and high-perfomance-liquid-chromatography.National Natural Science Foundation of China 20525103,20531050,20721001 973 Program,2007CB81530