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dc.contributor.authorLong, LS
dc.contributor.author龙腊生
dc.contributor.authorLu, X
dc.contributor.author吕鑫
dc.contributor.authorTian, F
dc.contributor.authorZhang, QE
dc.contributor.author张乾二
dc.date.accessioned2012-04-24T01:27:41Z
dc.date.available2012-04-24T01:27:41Z
dc.date.issued2003-05-07
dc.identifier.citationJ. Org. Chem., 2003, 68 (11): 4495–4498zh_CN
dc.identifier.issn0022-3263
dc.identifier.urihttp://dx.doi.org/doi:10.1021/jo034395r
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/12155
dc.description.abstractHydroboration of three allotropes of carbon, i.e., diamond (100) surface, [60]fullerene, and single-wall carbon nanotubes (SWNTs), with borane (BH3) has been explored by means of quantum chemical calculations. The calculations predicted that the hydroboration Of C-60 and the C(100)-2 x 1 surface occurs readily, whereas the hydroboration of the sidewall of an armchair (5,5) SWNT is thermoneutral with a barrier height of 11.5 kcal/mol. This suggests that sidewall hydroboration, if viable, would be highly reversible on the (5,5) SWNT. The as-hydroborated carbonous materials can be good starting points for further chemical modification and manipulation of these carbonous materials, given the abundant chemistry of organoboranes.zh_CN
dc.language.isoenzh_CN
dc.publisherAMER CHEMICAL SOCzh_CN
dc.titleHydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with boranezh_CN
dc.typeArticlezh_CN


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