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Experimental and theoretical cross sections for positron collisions with 3-hydroxy-tetrahydrofuran.

The Journal of chemical physics (2013-03-01)
Luca Chiari, Prasanga Palihawadana, J R Machacek, Casten Makochekanwa, Gustavo García, Francisco Blanco, R P McEachran, M J Brunger, Stephen J Buckman, James P Sullivan
RESUMEN

Cross section results from a joint experimental and theoretical investigation into positron scattering from 3-hydroxy-tetrahydrofuran (3H-THF) are presented. Total and positronium (Ps) formation cross sections have been measured from 1 to 190 eV using the positron beamline at the Australian National University, which has an energy resolution between 60 and 100 meV. The total cross section (TCS) and the elastic and total inelastic integral cross sections in the energy range between 1 and 1000 eV have been computed within the Independent Atom Model using the Screening Corrected Additivity Rule approach. In addition, we have calculated elastic differential cross sections at selected incident energies. Our computations represent the first theoretical results reported for this target species, while our measured Ps formation cross sections are also novel. Comparison of the present TCS with the previous results from the University of Trento shows a good level of agreement at the lowest energies. We also provide a comparison between the present cross sections for 3H-THF and those from our earlier study on the parent molecule tetrahydrofuran.

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Sigma-Aldrich
Furan, ≥99%
Supelco
Furan, analytical standard