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dc.contributor.authorWang, Chun-Ru
dc.contributor.authorShi, Zhi-Qiang
dc.contributor.authorWan, Li-Jun
dc.contributor.authorLu, Xin
dc.contributor.author吕鑫
dc.contributor.authorDunsch, Lothar
dc.contributor.authorShu, Chun-Ying
dc.contributor.authorTang, Ya-Lin
dc.contributor.authorShinohara, Hisanori
dc.date.accessioned2011-08-31T13:12:08Z
dc.date.available2011-08-31T13:12:08Z
dc.date.issued2006-04
dc.identifier.citationJ. Am. Chem. Soc., 2006, 128 (20): 6605–6610zh_CN
dc.identifier.issn0002-7863
dc.identifier.urihttp://dx.doi.org/doi:10.1021/ja0567844
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/10703
dc.description.abstractUnconventional fullerenes are those smaller than C-60 or those intermediate between C-60 and C-70, which are not stable in structure as none of the unconventional fullerene isomers satisfying the "isolatedpentagonrule" ( IPR). Below we report the synthesis of a stable unconventional fullerene derivative C64H4 by introducing methane in the fullerene productions with the normal Kra tschmer-Huffman method. We also applied various spectroscopic measurements such as mass spectrometry, C-13 NMR, IR, UV-vis absorption spectrometry, etc. to characterize the structural and electronic properties of this molecule, revealing an unprecedented fullerene cage with a triplet of directly fused pentagons in the framework of C64H4. Four hydrogen atoms are added to the carbons at vertexes of fused pentagons to allow the bond angles at these sites close to the sp(3) tetrahedral angle, which essentially release the sp(2) bond strains on the abutting- pentagon sites of C-64. Ab initio calculations were performed to explore the electronic property and simulate the C-13 NMR and IR spectra of this fulleride, which reproduced well the experimental results and confirmed the structural assignment of the C64H4.zh_CN
dc.language.isoenzh_CN
dc.publisherAMER CHEMICAL SOCzh_CN
dc.titleC64H4: Production, isolation, and structural characterizations of a stable unconventional fulleridezh_CN
dc.typeArticlezh_CN


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