Model of charge transfer collisions between C60 and slow ions

被引:1
|
作者
Smucker, J. [1 ]
Montgomery, J. A., Jr. [1 ]
Bredice, M. [1 ]
Rozman, M. G. [1 ]
Cote, R. [2 ]
Sadeghpour, H. R. [3 ]
Vrinceanu, D. [4 ]
Kharchenko, V. [1 ,3 ]
机构
[1] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA
[2] Univ Massachusetts Boston, Dept Phys, Boston, MA 02125 USA
[3] Harvard & Smithsonian, Ctr Astrophys, ITAMP, Cambridge, MA 02138 USA
[4] Texas Southern Univ, Dept Phys, Houston, TX USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2022年 / 157卷 / 05期
基金
美国国家科学基金会;
关键词
ELECTRONIC-STRUCTURE; ENERGY; FRAGMENTATION; DECOMPOSITION; C-60(+)+C-60; IONIZATION; SCATTERING; DYNAMICS; EXCHANGE; STATES;
D O I
10.1063/5.0100357
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
A semiclassical model describing the charge transfer collisions of C-60 fullerene with different slow ions has been developed to analyze available observations. These data reveal multiple Breit-Wigner-like peaks in the cross sections, with subsequent peaks of reactive cross sections decreasing in magnitude. Calculations of charge transfer probabilities, quasi-resonant cross sections, and cross sections for reactive collisions have been performed using semiempirical interaction potentials between fullerenes and ion projectiles. All computations have been carried out with realistic wave functions for C-60's valence electrons derived from the simplified jellium model. The quality of these electron wave functions has been successfully verified by comparing theoretical calculations and experimental data on the small angle cross sections of resonant C-60+C-60(+) collisions. Using the semiempirical potentials to describe resonant scattering phenomena in C-60 collisions with ions and Landau-Zener charge transfer theory, we calculated theoretical cross sections for various C-60 charge transfer and fragmentation reactions which agree with experiments. Published under an exclusive license by AIP Publishing.
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页数:9
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