Literature DB >> 31470731

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

F Costa1, L Álvarez1, A I Lozano1, F Blanco2, J C Oller3, A Muñoz3, A Souza Barbosa4, M H F Bettega4, F Ferreira da Silva5, P Limão-Vieira5, R D White6, M J Brunger7, G García1.   

Abstract

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 π* shape resonance at 1.4 eV and another feature in the energy region 4.6-4.9 eV interpreted as a π* resonance (2B2g 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 (a1g) 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.

Entities:  

Year:  2019        PMID: 31470731     DOI: 10.1063/1.5116076

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Double and Triple Differential Cross Sections for Single Ionization of Benzene by Electron Impact.

Authors:  Ana I Lozano; Filipe Costa; Xueguang Ren; Alexander Dorn; Lidia Álvarez; Francisco Blanco; Paulo Limão-Vieira; Gustavo García
Journal:  Int J Mol Sci       Date:  2021-04-27       Impact factor: 5.923

2.  Total Electron Detachment and Induced Cationic Fragmentation Cross Sections for Superoxide Anion (O2-) Collisions with Benzene (C6H6) Molecules.

Authors:  Carlos Guerra; Sarvesh Kumar; Fernando Aguilar-Galindo; Sergio Díaz-Tendero; Ana I Lozano; Mónica Mendes; Juan C Oller; Paulo Limão-Vieira; Gustavo García
Journal:  Int J Mol Sci       Date:  2022-01-23       Impact factor: 5.923

Review 3.  Electron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1-5000 eV).

Authors:  Ana I Lozano; Adrián García-Abenza; Francisco Blanco Ramos; Mahmudul Hasan; Daniel S Slaughter; Thorsten Weber; Robert P McEachran; Ronald D White; Michael J Brunger; Paulo Limão-Vieira; Gustavo García Gómez-Tejedor
Journal:  J Phys Chem A       Date:  2022-09-07       Impact factor: 2.944

4.  A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0-100 eV.

Authors:  Filipe Costa; Ali Traoré-Dubuis; Lidia Álvarez; Ana I Lozano; Xueguang Ren; Alexander Dorn; Paulo Limão-Vieira; Francisco Blanco; Juan C Oller; Antonio Muñoz; Adrián García-Abenza; Jimena D Gorfinkiel; Alessandra S Barbosa; Marcio H F Bettega; Peter Stokes; Ronald D White; Darryl B Jones; Michael J Brunger; Gustavo García
Journal:  Int J Mol Sci       Date:  2020-09-22       Impact factor: 5.923

  4 in total

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