Is C2 cluster ingested by fullerene C60?

被引:20
作者
Budyka, MF [1 ]
Zyubina, TS
Ryabenko, AG
Muradyan, VE
Esipov, SE
Cherepanova, NI
机构
[1] Russian Acad Sci, Inst Problems Chem Phys, RU-142432 Chernogolovka, Russia
[2] RAS, Inst Bioorgan Chem, Moscow 117901, Russia
基金
俄罗斯基础研究基金会;
关键词
D O I
10.1016/S0009-2614(02)00113-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The reaction of C, cluster addition to fullerene C-60 was studied using time-of-flight (TOF) mass spectrometer with laser desorption (LD). Detailed investigations of metastable peaks in C-60-C-62 mass region resulted in conclusion that primary adducts with formal C-62 composition, in contradiction to the existed conception, are unstable and decompose back to C-60 via C-2 losing. These adducts are most likely to have unclosed 'ball-with-fork' structures. as revealed by quantum-chemical investigations of reaction of G insertion into fullerene C-60 by PM3 method, and into model semi-sphere C32H12 at B3LYP/6-31G* level. (C) 2002 Published by Elsevier Science B.V.
引用
收藏
页码:93 / 99
页数:7
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