Positron scattering from the cyclic ethers oxirane, 1,4-dioxane, and tetrahydropyran

J Chem Phys. 2012 Mar 28;136(12):124305. doi: 10.1063/1.3696378.

Abstract

In this paper we report original measurements of total cross sections (TCSs) for positron scattering from the cyclic ethers oxirane (C(2)H(4)O), 1,4-dioxane (C(4)H(8)O(2)), and tetrahydropyran (C(5)H(10)O). The present experiments focus on the low energy range from ∼0.2 to 50 eV, with an energy resolution smaller than 300 meV. This study concludes our systematic investigation into TCSs for a class of organic compounds that can be thought of as sub-units or moieties to the nucleotides in living matter, and which as a consequence have become topical for scientists seeking to simulate particle tracks in matter. Note that as TCSs specify the mean free path between collisions in such simulations, they have enjoyed something of a recent renaissance in interest because of that application. For oxirane, we also report original Schwinger multichannel elastic integral cross section (ICS) calculations at the static and static plus polarisation levels, and with and without Born-closure that attempts to account for the permanent dipole moment of C(2)H(4)O. Those elastic ICSs are computed for the energy range 0.5-10 eV. To the best of our knowledge, there are no other experimental results or theoretical calculations against which we can compare the present positron TCSs. However, electron TCSs for oxirane (also known as ethylene oxide) and tetrahydropyran do currently exist in the literature and a comparison to them for each species will be presented.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Dioxanes / chemistry*
  • Electrons
  • Ethylene Oxide / chemistry*
  • Models, Theoretical
  • Molecular Structure
  • Monte Carlo Method
  • Pyrans / chemistry*
  • Scattering, Radiation

Substances

  • Dioxanes
  • Pyrans
  • 1,4-dioxane
  • Ethylene Oxide