作者: Toshiyasu Suzuki , Yusei Maruyama , Takeshi Akasaka , Wataru Ando , Kaoru Kobayashi
DOI: 10.1021/JA00083A022
关键词: Chemistry 、 Physical chemistry 、 Electrochemistry 、 Molecular orbital 、 HOMO/LUMO 、 Redox 、 Electronic structure 、 Alkyl 、 Organic chemistry 、 Electron acceptor 、 Electronegativity
摘要: A comparative study using cyclic, differential pulse, and Osteryoung square wave voltammetry is presented on organofullerenes derivatized with oxygen-, carbon-, silicon-containing groups. Electron affinities of the increase increasing electronegativities attached atoms. C[sub 60]O a stronger electron acceptor than 60], although its electroreductions are CV irreversible. In carbon-derivatized hybridization carbon atoms electron-withdrawing groups also affect their reduction potentials. As previously described for no reversible electrooxidation waves were observed all studied. Electron-donating groups, such as alkyl silyl, significantly lower oxidation potentials organofullerenes. The AM1 molecular orbital calculations performed 60] selected first second correlate well LUMO energy levels, while third better LUMO+1 levels. peak show good linear correlation HOMO 23 refs., 5 figs., 1 tab.