Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

被引:16
|
作者
Jones, D. B. [1 ]
da Costa, R. F. [2 ,3 ]
Varella, M. T. do N. [4 ]
Bettega, M. H. F. [5 ]
Lima, M. A. P. [2 ]
Blanco, F. [6 ]
Garcia, G. [7 ]
Brunger, M. J. [1 ,8 ]
机构
[1] Flinders Univ S Australia, Sch Chem & Phys Sci, GPO Box 2100, Adelaide, SA 5001, Australia
[2] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP, Brazil
[3] Univ Fed Espirito Santo, Dept Fis, BR-29075910 Vitoria, Espirito Santo, Brazil
[4] Univ Sao Paulo, Inst Fis, CP 66318, BR-05315970 Sao Paulo, Brazil
[5] Univ Fed Parana, Dept Fis, CP 19044, BR-81531990 Curitiba, Parana, Brazil
[6] Univ Complutense Madrid, Dept Fis Atom Mol & Nucl, E-28040 Madrid, Spain
[7] CSIC, Inst Fis Fundamental, Serrano 113 Bis, E-28006 Madrid, Spain
[8] Univ Malaya, Inst Math Sci, Kuala Lumpur 50603, Malaysia
来源
JOURNAL OF CHEMICAL PHYSICS | 2016年 / 144卷 / 14期
基金
澳大利亚研究理事会; 巴西圣保罗研究基金会;
关键词
LOW-ENERGY-ELECTRON; IMPACT EXCITATION; PSEUDOPOTENTIALS;
D O I
10.1063/1.4945562
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
We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented. (C) 2016 AIP Publishing LLC.
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页数:7
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