Experimental and theoretical analysis for total electron scattering cross sections of benzene



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Blanco Ramos, Francisco and otros, ... (2019) Experimental and theoretical analysis for total electron scattering cross sections of benzene. Journal of chemical physics, 151 (8). ISSN 0021-9606

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Official URL: http://dx.doi.org/10.1063/1.5116076


Measurements of the total electron scattering cross sections (TCSs) from benzene, in the impact energy range of 1-1000 eV, are presented here by combining two different experimental systems. The first utilizes a magnetically confined electron transmission beam for the lower energies (1-300 eV), while the second utilizes a linear transmission beam apparatus for the higher energies (100-1000 eV). These cross sections have also been calculated by means of two different theoretical methods, the Schwinger Multichannel with Pseudo Potential (SMCPP) procedure, employing two different approaches to account for the polarization of the target for impact energies between 0.1 and 15 eV, and the Independent Atom Model with the Screening Corrected Additivity Rule including Interference effect (IAM-SCAR+I) paradigm to cover the 10-10 000 eV impact energy range. The present results are compared with available theoretical and experimental data, with the level of accord being good in some cases and less satisfactory in others, and some predicted resonances have been identified. In particular, we found a pi* shape resonance at 1.4 eV and another feature in the energy region 4.6-4.9 eV interpreted as a pi* resonance (B-2(2g) symmetry), which is a mixture of shape and a core excited resonance, as well as a Feshbach resonance at 5.87 eV associated with the 3s (a(1g)) Rydberg state. A Born-type formula to extrapolate TCS values for energies above 10 000 eV is also given. This study provides a complete set of TCS data, with uncertainty limits within 10%, ready to be used for modeling electron transport applications. Published under license by AIP Publishing.

Item Type:Article
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© 2019 Author(s). Artículo firmado por 13 autores. This study was partially supported by the Spanish Ministerio de Ciencia, Innovación y Universidades (Project No. FIS2016-80440) and by CSIC (Project No. LINKA20085). F.F.S. and P.L.V. acknowledge the Portuguese National Funding Agency FCT-MCTES [Research Grant Nos. UID/FIS/00068/2019 (CEFITEC), PTDC/FIS-AQM/31215/2017, and PTDC/FIS-AQM/31281/2017], while F. C. was supported by a Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT) grant (RaBBiT, PD/00193/2012) and UID/Multi/04378/2013 479 (UCIBIO). Partial financial support from the Australian Research Council through Grant No. DP180101655 was also acknowledged. A.S.B. acknowledges support from Brazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES). M.H.F.B. acknowledges support from Brazilian agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) and from FINEP (under project CTInfra). A.S.B. and M.H.F.B. also acknowledge computational support from Professor Carlos M. de Carvalho at LFTC-DFis-UFPR and at LCPAD-UFPR and from CENAPAD-SP. We all thank Dr. L. Campbell for his help in preparing this paper.

Uncontrolled Keywords:Screening corrections; Positron scattering; Elastic-scattering; Triplet-states; Negative-ions; Molecules; Pyrimidine; Impact; Nitroimidazole; Transmission
Subjects:Sciences > Physics > Nuclear physics
ID Code:58058
Deposited On:12 Dec 2019 12:37
Last Modified:30 Aug 2020 23:01

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