Murata Yasujiro, Murata Michihisa, Komatsu Koichi
Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan.
J Am Chem Soc. 2003 Jun 18;125(24):7152-3. doi: 10.1021/ja0354162.
By applying high-pressure H2 to a new fullerene derivative, C63NO2SPh2Py (1), having a 13-membered-ring orifice, 100% incorporation of a H2 molecule into the fullerene cage has been achieved for the first time. This result substantiates the theoretical calculations indicating that the energy barrier required for H2 insertion through an orifice in 1 is considerably lower than that for the previously reported derivative with the largest orifice among open-cage fullerenes synthesized thus far. Upon matrix-assisted laser desorption/ionization mass spectroscopy, the removal of organic addends from the fullerene derivative 1 encapsulating H2 and restoration of the pristine C60 cage, which retains approximately one-third of incorporated H2, have been observed.
通过对一种具有13元环孔的新型富勒烯衍生物C63NO2SPh2Py（1）施加高压氢气，首次实现了H2分子100% 掺入富勒烯笼中。这一结果证实了理论计算，表明通过1中的孔插入H2所需的能垒远低于迄今为止合成的开孔富勒烯中孔最大的先前报道的衍生物。在基质辅助激光解吸/电离质谱分析中，观察到从封装H2的富勒烯衍生物1中去除有机添加剂，并恢复了原始的C60笼，该笼保留了大约三分之一掺入的H2。
