Theoretical and Experimental Study of the Energy and Structure of Fragment Ions Produced by Double Photoionization of Benzene Molecules

被引:0
作者
Rosi, Marzio [1 ,2 ]
Candori, Pietro [1 ]
Falcinelli, Stefano [1 ]
Pedrosa Mundim, Maria Suelly [3 ]
Pirani, Fernando [4 ]
Vecchiocattivi, Franco [1 ]
机构
[1] Univ Perugia, Dept Civil & Environm Engn, Via Duranti 93, I-06125 Perugia, Italy
[2] Univ Perugia, ISTM CNR, I-06123 Perugia, Italy
[3] Univ Federal Bahia, Inst Fisica, BR-40000 Salvador, BA, Brazil
[4] Univ Perugia, Dept Chem, I-06123 Perugia, Italy
来源
COMPUTATIONAL SCIENCE AND ITS APPLICATIONS - ICCSA 2012, PT I | 2012年 / 7333卷
关键词
ab initio calculations; potential energy surfaces; fragmentation dynamics; photoionization; ELECTRON CORRELATION; SPECTROSCOPY; STATES; COINCIDENCE; SPECTRA;
D O I
暂无
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Theoretical calculations of the energy and structure of dissociation product ions have been performed to provide detailed information about the dynamics of the charge separation reactions following the photoionization event of benzene molecules. The calculations are in agreement with the experimental results obtained in a study where a time-of-flight mass spectrometer with a position sensitive ion detector has been used in the dissociative double ionization of benzene by UV synchrotron radiation.
引用
收藏
页码:316 / 330
页数:15
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