A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane

• Published in: The Journal of chemical physics Vol. 139; no. 1; p. 014308
• Main Authors: Palihawadana, P, Sullivan, J P, Buckman, S J, Masín, Z, Gorfinkiel, J D, Blanco, F, García, G, Brunger, M J
• Format: Journal Article
• Language: English
• Published: United States 07.07.2013
• Subjects: Dioxanes - chemistry; Electrons; Models, Molecular; Models, Theoretical
• ISSN: 1089-7690
• DOI: 10.1063/1.4812215

We present results of measurements and calculations of elastic electron scattering from 1,4-dioxane in the energy range of 0-1000 eV. Absolute differential and integral elastic cross sections have been measured using a crossed electron-molecule beam spectrometer and the relative flow technique, at four energies in the 10-30 eV range and for scattered electrons in the angular range 20°-129°. The measured cross sections are compared with results from R-matrix computations, at the static exchange plus polarization level, calculated at energies between 0-20 eV, and with calculations employing the independent atom model with the screening corrected additivity rule (IAM-SCAR). Those latter computations were conducted at energies between 1 and 1000 eV. Agreement between the measured and R-matrix cross sections was typically found to be good at all common energies, whereas agreement with IAM-SCAR was satisfactory only at 30 eV. To the best of our knowledge, the present results are the first absolute data to be published in the literature for this scattering system.