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EII of plasma edge constituents, properties of Be x H y molecules

EII of plasma edge constituents, properties of Be x H y molecules. S. Matejcik, P. Mach, J. Urban Comenius University Bratislava Slovakia. Bratislava. Overview. - Appearance energies of C 2 D 6 - Cross section for EII to propane - BeH and BeH 2 – structure and energies

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EII of plasma edge constituents, properties of Be x H y molecules

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  1. EII of plasma edge constituents, properties of BexHy molecules S. Matejcik, P. Mach, J. Urban Comenius University Bratislava Slovakia

  2. Bratislava

  3. Overview - Appearance energies of C2D6 - Cross section for EII to propane - BeH and BeH2 – structure and energies - Structure and energetics of BemHn clusters

  4. Electron impact ionization • cross sections (total, partial) • ionization energies • appearance energies • kinetic energy release • gas temperature dependencies • products of the reactions

  5. Experimental setup

  6. Cross section measurements • Absolute measurement of the pressure • Relative flow technique • Ar as a calibration gas

  7. Threshold behaviour of the cross sections Atoms: Wannier theory: w(E,AE,A,d) = 0 E<AE A(E-IE)d E>AE d=1.127 Fitting function: f(E,U) - EEDF

  8. Threshold behaviour of the cross sections d=1.127±0.01

  9. Isotopic effect on AE Denifl et al. IJMS248 (2005) 29

  10. Isotopic shift a) F. P. Lossing, A. W. Tickner, W. A. Bryce, J. Chem. Phys.19, 1254 (1951). b) V. H. Dibeler, M. Krauss, R. M. Reese, F. N. Harlee J. Chem. Phys.42, 3791 (1965). Denifl et al. IJMS248 (2005) 29

  11. EII of C2D6 e + C2D6→C2D6+ + 2e →C2D5+ + D– + 2e →C2D2+ + 2D2 + e

  12. EII to C2D6

  13. Izotopic effects in C2D6 aE. Vaseková, M. Stano, S. Matejcik, , J.D. Skalný, P. Mach, T.D. Märk, J. Urban Int. J. of Mass Spect., 235 (2004) 155-162

  14. Grill et al. ZPhysD25 (1993) 217

  15. EII to C3H8

  16. Appearance energies C3H8 DeniflCPL402 (2005) 80

  17. EII to C3H8 cross sections Exp: N. Duric, I. Čadež, M. Kurepa, Int. J. Mass Spectrom. & Ion Processes, 108 (1991) R1-R10.

  18. Total cross sections Exp: N. Duric, I. Čadež, M. Kurepa, Int. J. Mass Spectrom. & Ion Processes, 108 (1991) R1-R10. BEB: W. Hwang, Y.-K. Kim and M.E. Rudd, J. Chem. Phys., 104 (1996) 2956

  19. Cross sections at 700 K • Not finnished yet • Problems with contamination

  20. EII to BexHy • Experimental problems • Vaporisation only at T>1000°C • Toxicity of Be

  21. BeH dissoc. energy CCSDT-R12 1exc. energy 2Σ – 2Π, experiment 17086 cm-1 , theory – 17116 cm-1

  22. BeH bond lenght

  23. BeH2

  24. BeH2 bond lenght

  25. BenH clusters – MP2

  26. BenH1

  27. Be3Hn Be4Hn

  28. Be4Hn

  29. Futher plans • Propane cross section at high T • C2D6 – high T, cross sections • Ionization energies of the Be compounds • Appearance energies of the fragments • Simulation of the Be surface • Chemistry on the Be surface

  30. Thank you for your attention

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