1 / 51

ÁGÚST KVARAN, et al.

PHOTOFRAGMENTATIONS, STATE INTERACTIONS AND ENERGETICS OF HALOGEN CONTAINING MOLECULES: TWO-DIMENSIONAL (2+n) REMPI. ÁGÚST KVARAN, et al. Science Institute, University of Iceland, Dunhaga 3, 107 Reykjavík, Iceland. Oral presentation at PSI / SLS, June, 2012. Excimer Laser.

blaine
Download Presentation

ÁGÚST KVARAN, et al.

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. PHOTOFRAGMENTATIONS, STATE INTERACTIONS AND ENERGETICS OF HALOGEN CONTAINING MOLECULES: TWO-DIMENSIONAL (2+n) REMPI ÁGÚST KVARAN, et al. Science Institute, University of Iceland, Dunhaga 3, 107 Reykjavík, Iceland. Oral presentation at PSI / SLS, June, 2012.

  2. Excimer Laser Pellin Broca prism SHG Dye- Laser out Time delay 200-1200 mS SHG control In RX laser control In out oscilloscope computer nozzle lense TOF Turbo Pump MCP detector Voltage devider HV -2Kv

  3. 2 AB+ + e AB** 1xhn 2xhn AB REMPI = Resonance Enhanced MultiPhoton Ionization E (2 + 1) REMPI

  4. 2 AB+ + e A + B+ + e AB** 1xhn 2xhn AB REMPI = Resonance Enhanced MultiPhoton Ionization E

  5. 2 A+ + B + e AB+ + e A + B+ + e AB+ + e A + B+ + e AB** AB # # 1xhn 2xhn AB REMPI = Resonance Enhanced MultiPhoton Ionization E

  6. 2 A+ + B + e AB+ + e A + B+ + e AB+ + e A + B+ + e AB** AB # # 1xhn 2xhn AB REMPI = Resonance Enhanced MultiPhoton Ionization E A+ + e B+ + e A + B/B*

  7. (2 + n)REMPI; n = 1,2,..... I(M+) Laser excitation / cm-1 2D - REMPI .....A+..............B+..........................AB+..... / Mw • PHOTOFRAGMENTATIONS, • STATE INTERACTIONS • ENERGETICS

  8. Intensity H35Cl+ Mass spectrum RCl = HCl H+ Two photon resonance excitation= 82842.36 cm-1 35Cl+ H37Cl+ 12C+ 1 12 35 Mw

  9. 35Cl+ H35Cl+ 37Cl+ Mw H37Cl+ 2xhv H35Cl+ H37Cl+ 35Cl+ /cm-1 Mw / rel.

  10. Energy HX REMPI: e- HX+ H+ X+ IE limit e- J´ J´ + H X ** v´ v´ H+--X- HX r(H-X)

  11. 270 cm-1

  12. V 1S+(v´=m+10)

  13. HCl, F1D2 Q Intensity J´=J´´ = 9 8 7 6 5 4 3 2 H35Cl+ 35Cl+ 2hn / cm-1

  14. Energy e- HX REMPI: HX+/HX+H+ X+ IE limit e- J´ J´ + H X ** v´ v´ H+--X- HX r(H-X)

  15. E State Interactions ? (1) / y0 (2) / y0 1 2 2 2 y c1y0 c2y0 c1 c2 + + = 1 = a 1 2 y c1´y0 c2´y0 - = b 1 2

  16. E W12: Interaction strength (1) / y0 (2) / y0 1 2 2 2 y c1y0 c2y0 c1 c2 + + = 1 = a 1 2 y c1´y0 c2´y0 - = b 1 2

  17. E E( ) DE E(J´) (1) / y0 (2) / y0 1 2 2 2 y c1y0 c2y0 c1 c2 + + = 1 = a 1 2 y c1´y0 c2´y0 - = b 1 2

  18. HCl, F1D2 Q Intensity J´=J´´ = 9 8 7 6 5 4 3 2 H35Cl+ 35Cl+ 2hn / cm-1

  19. HCl: DEJ´=8 = 11.3 cm-1 V1S X ? F1D2 2 2 c1 c2 x

  20. HCl, F1D2 Q Com- press- ion E x p a n s i o n Intensity J´=J´´ = 9 8 7 6 5 4 3 2 H35Cl+ 35Cl+ 2hn / cm-1

  21. DE

  22. HCl: DEJ´=8 = 11.3 cm-1 V1S 6 cm-1 from line shifts X ? F1D2 2 2 0.6= c1 c2 = 0.4 x

  23. Energy HX REMPI: e- ? X+ HX+/HX+H+ X+ IE limit 2 2 c1 c2 e- J´ J´ + H X ** v´ v´ H+--X- HX r(H-X)

  24. Energy HX REMPI: e- X+ HX+/HX+H+ X+ e- J´ J´ + H X ** v´ v´ H+--X- H + X HX r(H-X)

  25. Energy HX REMPI: e- X+ HX+/HX+H+ X+ H + X* HX*** e- J´ J´ + H X ** v´ v´ H+--X- HX r(H-X)

  26. E HX REMPI: e- X+ HX+/HX+H+ X+ 2 2 c1 c2 X* J´ J´ X v´ v´ H+--X- 2 c2 2 Ry: I.P./V: c2 I (HX+) = a= a2(X+)/a1(HX+) 2 2 2 2 a1c1 b1c1 b2c2 a2c2 I (X+) = + + g= b1(X+) /a2(X+) ag= b1(X+)/a1(HX+) HX r(H-X)

  27. E HX REMPI: e- X+ HX+/HX+H+ X+ 2 2 c1 c2 X* J´ J´ ag a X v´ v´ H+--X- 2 c2 2 c2 a= a2(X+)/a1(HX+) ag= b1(X+)/a1(HX+) HX r(H-X)

  28. HiCl j 3S-1 i=35 i=37 Exp.Q Calc. V,v´ = 20 I(iCl+)/I(HiCl+) Exp.Q Calc. V,v´=20 K. Matthíasson et al.J. Chem. Physics, 134, 164302, (2011) > » > < »

  29. Energy HX REMPI: e- X+ HX+/HX+H+ X+ HX** J´ J´ j 3S-1 v´ v´ H+--X- S/O t 3S+1 H + X HX r(H-X)

  30. H35Cl f 3D2f 3D1 Exp.Q Calc.V,v´=8 Exp.S Calc.V,v´=9 I(35Cl+)/I(H35Cl+) < > <

  31. H35Cl f 3D2f 3D1 Exp.Q Calc.V,v´=8 Exp.S Calc.V,v´=9 I(35Cl+)/I(H35Cl+) • No dissociation • No predissociation • pathway Dissociation: Predissociation by S/O couplings via “Gateway Rydberg states (1P,3P)” :

  32. H37Cl j 3S-(0+) Exp. Q

  33. H37Cl T S W´=0 W´=0 V 1S(0+) : J´=6 v´=21 Near resonance J´=6 J´=0 E/cm-1 J´=0 : J´=6 v´=20 j 3S-(0+), v´=0 J´=0

  34. H37Cl j 3S-(0+) Calc. V,v´=20 V,v´=21 Exp. Q

  35. H79Br

  36. H79Br V 1S(0+) S S W´=0 W´=0 J´=9 J´=6 v´=m+5 Off resonance J´=0 J´=6 J´=9 v´=m+4 E/cm-1 J´=6 J´=0 E 1S(0+), v´=0 J´=0

  37. H79Br, E(v´=0) Linewidth/cm-1 I(79Br+)/I(H79Br+)

  38. E1S+(1) G(C1P1) HBr (JL) Á. Kvaran et al., J. Chem. Physics, 136, 214315,(2012) (JL) (SO) F1D2(1) (SO) G(C1P1) Energy JL (JL) V1S+(m+7) (JL) (SO) (SO) R(t3S+1) R(A1P, a3P) R(A1P, a3P) R(t3S+1)

  39. HX** - .. { } H+ X- + - : : : + : “Summary”: Photodissociation, State interactions, Energetics... : . : : . H X HX *

  40. Coworkers: : : Victor Huasheng Wang Kristján Matthíasson Jingming Long Helgi Rafn Hróðmarsson ..RX.. .....HCl,.... ...HCl,HBr.. ... HBr,HI.. *

More Related