Title of article
Trimerization of C60
Author/Authors
Lee، نويسنده , , K.H. and Eun، نويسنده , , H.M. and Park، نويسنده , , S.S. and Lee، نويسنده , , J.Y. and Cho، نويسنده , , C.K. and Lee، نويسنده , , C.H. and Lee، نويسنده , , S.M. and Lee، نويسنده , , Y.H. and Sun، نويسنده , , X.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
1
From page
2434
To page
2434
Abstract
Seven different regioisomers of C60 trimers with intact cages have been calculated at the empirical tight-binding total energy calculation method. We analyze the atomic structure and energetics of seven different trimers except the sterically demanding cis-1. The trimers are formed by the linkage through a [2+2] cycloaddition. The energies of the trans-3, trans-1, trans-2, trans-4, cis-3 and cis- 2 regioisomers relative to the most stable equatorial regioisomer are 13, 19, 20, 30, 207 and 673 meV, respectively.
Keywords
Semi-empirical models and model calculations , Fullerenes and derivatives
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2073175
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