Higher trifluoromethylated derivatives of C60, C60(CF3)16 and C60(CF3)18 -: Synthesis, structure, and theoretical study

被引：36
作者：
Troyanov, Sergey I.
Goryunkov, Alexey A.
Dorozhkin, Eugenii I.
Ignat'eva, Daria V.
Tamm, Nadezhda B.
Avdoshenko, Stanislav M.
Ioffe, Ilya N.
Markov, Vitalii Yu.
Sidorov, Lev N.
Scheurel, Kerstin
Kemnitz, Erhard
机构：
[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia
[2] Humboldt Univ, Inst Chem, D-12489 Berlin, Germany
来源：
JOURNAL OF FLUORINE CHEMISTRY | 2007年 / 128卷 / 05期
基金：
俄罗斯基础研究基金会;
关键词：
trifluoromethylated[60]fullerenes; X-ray structure; density functional calculations;
D O I：
10.1016/j.jfluchem.2007.01.008
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Three isomers Of C-60(CF3)(16) and one isomer Of C-60(CF3)(18) have been isolated by HPLC from a mixture prepared by trifluoromethylation Of C-60 with CF3I in a glass ampoule at 380-400 degrees C. The molecular structures of the four new compounds have been determined by means of X-ray single crystal diffraction and discussed in terms of mechanistic pathways of their fort-nation and relative stability according to the DFT calculations. (C) 2007 Elsevier B.V. All rights reserved.
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页码：545 / 551
页数：7
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