Preferential site of attack on fullerene cations: frontier orbitals and rate coefficients |
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| Authors: | Lee Kee Hag Lee Changhoon Kang Jinhee Park Sung Soo Lee Jeeyoung Lee Sang Kuk Bohme Diethard K |
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| Affiliation: | Department of Chemistry and Research Institute of Basic Sciences, Wonkwang University, Iksan, Jeonbuk 570-749, S. Korea. khlee@wonkwang.ac.kr |
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| Abstract: | An analysis of reaction efficiency is presented for reactions of carbonaceous ions and molecules. Our results show that the combination of experimental rate-coefficient measurements and computations of the condensed Fukui functions of frontier molecular orbitals and pyramidal angles of pi orbitals is very useful for elucidating the reactive sites on fullerene carbon clusters in the gas phase. |
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