Low energy elastic scattering of electrons from hexafluoropropene (C₃F₆)

Abstract

We present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10° to 130°. The theoretical method used in the computation of the integral, momentum transfer and differential cross sections (DCSs) is the Schwinger multichannel method with pseudopotentials. The cross sections were computed in the static-exchange and static-exchange plus polarization approximations for energies up to 20 eV. In general, the present experimental and calculated DCSs agree well among each other, except at 3 eV. Our results also agree well with previous measurements available at 2, 5 and 8 eV. The calculated integral and momentum transfer cross sections display a series of resonances, where the low-lying resonance has a π* character and is located at around 1 eV. This resonance was also observed in previous total cross section measurements at around 1.2 eV (Makochekanwa et al 2005 Eur. Phys. J. D 35 249).

Low-Energy Electron and Positron Scattering by para-Difluorobenzene

“…The present electron-scattering calculations were conducted within the SE and SEP approximations, where 5s5p3d Cartesian Gaussian functions were used for the heavy atoms and are tabulated in ref . For the hydrogen atoms, we employed the 4s/3s1p Dunning basis set with an additional p-function with exponent 0.75.…”

Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study

“…The norm-conserving pseudopotentials of Bachelet, Hamann, and Schlüter were used to replace the core electrons of the carbon and the oxygen atoms. The uncontracted Cartesian–Gaussian functions used for the carbon and oxygen atoms contain 5 s 5 p 3 d functions and were published elsewhere . For the hydrogen atoms, we employed the 4s/3s basis set of Dunning Jr .…”

“…The uncontracted Cartesian–Gaussian functions used for the carbon and oxygen atoms contain 5 s 5 p 3 d functions and were published elsewhere. 40 For the hydrogen atoms, we employed the 4s/3s basis set of Dunning Jr. 41 with one additional p -type function with exponent 0.75. Additionally, we included additional Cartesian–Gaussian functions in three extra chargeless centers 42 placed along the C=O, C–H, and O–C bonds, with exponent values of 0.100, 0.0250, and 0.00625 for the s -type functions, 0.0500 and 0.0125 for the p -type functions, and 0.0250 for a d -type function.…”