Light transmission spectra of THF solutions of poly (C-60-co-methyl methacrylate)s and poly(C-60-co-styrene)s continuously red-shift with increasing concentration. Formation of fullerene nanoclusters may be responsibl...Light transmission spectra of THF solutions of poly (C-60-co-methyl methacrylate)s and poly(C-60-co-styrene)s continuously red-shift with increasing concentration. Formation of fullerene nanoclusters may be responsible for the unusual spectral shift, with concentration. It has long been scientists' dream to ''tune'' material's properties by simple means, and the C-60-containing polymers represent such a group of novel materials whose optical properties are predictably and reversibly tunable by a simple change in concentration.展开更多
A new comblike polymer host for polymer electrolyte was synthesized by reacting monomethyl ether of poly(ethylene glycol) with poly(vinyl methyl ether-alt-maleic anhydride) and endcapping the residual carboxylic acid ...A new comblike polymer host for polymer electrolyte was synthesized by reacting monomethyl ether of poly(ethylene glycol) with poly(vinyl methyl ether-alt-maleic anhydride) and endcapping the residual carboxylic acid with methanol. Butanone was selected as a solvent for the esterification in order to obtain a completely soluble product. The synthesis process was traced through by LR. Compared with the model compounds, the presumed structure of this comblike polymer has been proved to be valid by C-13 NMR The comb polymer is a white rubbery solid. It can be dissolved in butanone and THF, and manifests good film forming ability.展开更多
Geometric and electronic properties of highly fluorinated fullerene C74F38 have been studied using the density functional theory at BLYP level with the double numerical atomic orbital basis sets with polarization func...Geometric and electronic properties of highly fluorinated fullerene C74F38 have been studied using the density functional theory at BLYP level with the double numerical atomic orbital basis sets with polarization functions (DNP). The optimized geometry of C74F38, quite different from that of C74, turns into a pronounced hexahedron shape because the six stabilizing isolated benzenoid rings tend to be as far apart as possible. The HOMO-LUMO energy gap and the binding energy of C74F38 indicate that C74F38 is not only kinetically but also dynamically stable. The shorter F-C bond lengths together with the analysis of the density of states and the Mulliken populations indicate that the F-C bonds in C74F38 have both covalent and ionic characters. The Mulliken populations show that the fluorine atoms obtain about 10 electrons from the C74 cage.展开更多
基金This work was in part supported by a grant from the Hong Kong Government Research Grants Council(DAG96/97.SC11)
文摘Light transmission spectra of THF solutions of poly (C-60-co-methyl methacrylate)s and poly(C-60-co-styrene)s continuously red-shift with increasing concentration. Formation of fullerene nanoclusters may be responsible for the unusual spectral shift, with concentration. It has long been scientists' dream to ''tune'' material's properties by simple means, and the C-60-containing polymers represent such a group of novel materials whose optical properties are predictably and reversibly tunable by a simple change in concentration.
文摘A new comblike polymer host for polymer electrolyte was synthesized by reacting monomethyl ether of poly(ethylene glycol) with poly(vinyl methyl ether-alt-maleic anhydride) and endcapping the residual carboxylic acid with methanol. Butanone was selected as a solvent for the esterification in order to obtain a completely soluble product. The synthesis process was traced through by LR. Compared with the model compounds, the presumed structure of this comblike polymer has been proved to be valid by C-13 NMR The comb polymer is a white rubbery solid. It can be dissolved in butanone and THF, and manifests good film forming ability.
基金Supported by the National Natural Science Foundation of China under Grant No 10174039, the Natural Science Foundation of Jiangsu Province under Grant No BK2002099, and the Science Foundation of Nanjing University of Science and Technology under Grant No AB96129.
文摘Geometric and electronic properties of highly fluorinated fullerene C74F38 have been studied using the density functional theory at BLYP level with the double numerical atomic orbital basis sets with polarization functions (DNP). The optimized geometry of C74F38, quite different from that of C74, turns into a pronounced hexahedron shape because the six stabilizing isolated benzenoid rings tend to be as far apart as possible. The HOMO-LUMO energy gap and the binding energy of C74F38 indicate that C74F38 is not only kinetically but also dynamically stable. The shorter F-C bond lengths together with the analysis of the density of states and the Mulliken populations indicate that the F-C bonds in C74F38 have both covalent and ionic characters. The Mulliken populations show that the fluorine atoms obtain about 10 electrons from the C74 cage.