富勒烯c60在甲苯溶液中的结构、振动和热学性质

Y. Prylutskyy, S. Durov, Leonid A. Bulavin, I. Adamenko, K. O. Moroz, Andrzej Graja, A. Bogucki, P. Scharf
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引用次数: 15

摘要

从理论上和实验上对富勒烯C60在甲苯溶液中的结构、振动和热性能进行了详细的研究。聚类动力学结果表明,C60在甲苯中的聚类结构可描述为分形体系。不同浓度C60甲苯溶液的电子吸收光谱证明了其吸收的分子特性。用分子动力学方法计算了13个富勒烯C60分子在甲苯溶液中形成的最小稳定球形团簇的振动谱,并与拉曼光谱数据进行了比较。利用C60甲苯溶液测得的(P-ρ-T)数据,确定了热力学系数αP、βT、βS、cP、cV和声速的数值。
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STRUCTURE, VIBRATIONAL, AND CALORICAL PROPERTIES OF FULLERENE C60IN TOLUENE SOLUTION
The structure, vibrational and calorical properties of fullerene C60 in toluene solution were investigated both experimentally and theoretically in detail. The aggregation kinetics results indicated that the structure of C60 aggregates in toluene could be described as a fractal system. The electronic absorption spectra of C60 toluene solution with different concentration testify to the molecular character of absorption. The vibrational spectrum of smallest stable spherical cluster formed from the 13 single fullerene C60 molecules in toluene solution was calculated using the molecular dynamics approach and compared with Raman spectroscopy data. The numerical values of thermodynamical coefficients αP, βT,βS, cP, cV and sound velocity were determined from the (P-ρ-T) data measured for C60 toluene solution.
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