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CH3Br, one-color exp.: CHn+, iBr+ and CiBr+ ions vs CH3Br(Ry) states: https://notendur.hi.is/~agust/rannsoknir/Crete16/PPT-160908-CH3Br(2).pptx Content: pages:

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Presentation on theme: "CH3Br, one-color exp.: CHn+, iBr+ and CiBr+ ions vs CH3Br(Ry) states: https://notendur.hi.is/~agust/rannsoknir/Crete16/PPT-160908-CH3Br(2).pptx Content: pages:"— Presentation transcript:

1 CH3Br, one-color exp.: CHn+, iBr+ and CiBr+ ions vs CH3Br(Ry) states: Content: pages: KERs for Ry(66019) and Ry(72977)…………………………………………………………… Comments concerning CH3+ signal for Ry(66019)……………………………………… 4 Comments concerning Br+ signal for Ry(66019)………………………………………… 5 KERS vs. Ions and 2hv…………………………………………………………………………………. 6 KERs and images for CH3+ ………………………………………………………………………… CH3+ KER spectra interpretation (?)……………………………………………………………….. 17 Explanation for observed ringes in CH3+ KERs…………………………………………….. 18 KERs and images for CH2+ ………………………………………………………………………… KERs for CH+………………………………………………………………………………………………… 24-25 KERs and images for 79Br + …………………………………………………………………………… 26-30 KERs for C79Br + ………………………………………………………………………… Comparison of xx and zz KER spectra……………………………………………………………… 33-37 Energetics with respect to possible CH3+ and CH2+ formation……………………… Ry(78370): images and KERs, CHn+, 79Br+, C79Br+……………………………………… Comparison for C79Br+ and C81Br+(CH279Br+) signals for Ry(67275; )……………………………………………………………………………………….. 45 Angular distrib. Analysis (CH3+)…………………………………………………………………… Individual Ry spectra (CH3+)……………………………………………………………………… summary (CH3+)……………………………………………………………………………………………… 56 Updated:

2 KERs(xx): Ry(2hv/cm-1): CH3+ CH2+ CH+ C+ 72977(from 7.9.16)
eV Gr:9, Lay:0 date:

3 KERs(xx): Ry(2hv/cm-1): 72977(from 7.9.16) 79Br+ C79Br+
eV 0.111 eV Ry(2hv/cm-1): 72977(from ) 66019 (from ) 79Br+ C79Br+ Calc. energy for CH3 + Br (<= Arnar; ): 0.179eV Calc. energy for CH3 + Br*(<= Arnar; ): eV 0.170 eV eV 81Br+ C79Br+ eV Gr:10, Lay: 1 date:

4 CH3+: Five criterias have been looked at concerning possible explanations of the structure observed For CH3+, Ry(66019) (slide 2; red curve, bottom) (see AK´s notes from ): 1hv excitation of CH3Br to repulsive valence states ruled out, since signal must involve excitation followed by dissociation to form CH3/CH3 (v´´) + Br/Br* via higher enenergy CH3Br Rydberg state followed by multiphoton ionization of CH3/CH3(v´´) (i.e the Ry(66019 state)) 2hv resonance excitation of CH3Br to the Ry(66019) state ruled out, for energetic reasons: Would involve followed by dissociation to form CH3/CH3 (v´´) + Br/Br* much higher KER´s than what is observed. followed by multiphoton ionization CH3/CH3 (v´´) 3hv excitation of CH3Br ruled out, for energetic reasons: Would involve followed by dissociation to form CH3+/CH3+ (v+) + Br- higher KER´s than what is observed. followed by multiphoton ionization CH3/CH3 (v´´) 3hv excitation of CH3Br followed by dissociation to form CH3**/CH3 (v´)** + Br Possible energetically but no detaild (CH3**/CH3 (v´)** are neutral excited states) conclusion followed by multiphoton ionization of CH3**/CH3 (v´)** 4hv excitation of CH3Br to form CH3Br+ ruled out, for energetic reasons: Would involve followed by dissociation to form CH3+/CH3+ (v+) +Br/Br* higher KER´s than what is observed. Due to (2), (3) and (5) above: Check to see if CH3+ signals are observe for higher KERS 190908: Measured Ry(66019) for repeller voltage = 5kV (instead of 3kV): No signals obserd for higher KERs date:

5 1. Most likely candidate for the Br+ formation is the channel:
1hv excitation. followed by dissociation to form CH3 + Br/Br* followed by multiphoton excitation of Br/Br* (see slide 3) 2. Might be that the ratio of the two channels (with respect to Br and Br* formation) vary by going from Ry(66019) to Ry(72977) (see slide 3) Will be interesting to see how/whether the Br+ peak shifts „regularely“ as we go stepwise From Ry(66019) to Ry(72977) date:

6 KERs(xx): CH3+ CH2+ CH+ C+ CH3+ +Br- eV Ry(2hv/cm-1): 72977(7.9.16)
66503(8.9.16) 66019 (6.9.16) CH3+ +Br- eV Gr:9, Lay:0 date created:

7 CH3+

8 KERs (xx): CH3+ eV Ry(2hv/cm-1): 78370(12.9.16) 77165(15.9.16)
75905( ) 74249( ) 72977(7.9.16) 68684( ) 67275( )) 66503(8.9.16) 66019 (6.9.16) CH3+ +Br- eV Gr:11, Lay:2 date created:

9 KERs (xx): CH3+ eV Ry(2hv/cm-1): 78370(12.9.16) 77165(15.9.16)
75905( ) ) 72973(7.9.16) 68684( ) 67275( )) 66503(8.9.16) 66019 (6.9.16) CH3+ +Br- eV Gr:11, Lay:2 date created:

10 KERs (xx): CH3+ eV Ry(2hv/cm-1): CH3+ +Br-
Gr:11, Lay:2 date created:

11 CH3+ REMPI specttra (1/2)6p w = 2 0 5d (3/2)6d w = 2 0
REMPI spectra pxp

12 KERs (xx): CH3+ n =6; n2 n=7; w = 0; (3/2)np n = 6 w = 2 0; (1/2)np
Ry(2hv/cm-1): 77165 ( ) ( ) 78370( ) ( ) 79610 ( ) n =6; n2 n=7; w = 0; (3/2)np CH3+ +Br- n = 6 w = ; (1/2)np n = 5; w = ; (3/2)nd eV Gr:27Lay:16 date created:

13 KERs (xx): CH3+ n =6; n2 n=7; w = 0; (3/2)np n = 6 w = 2 0; (1/2)np
Ry(2hv/cm-1): 77165 ( ) ( ) 78370( ) ( ) 79610 ( ) n =6; n2 n=7; w = 0; (3/2)np CH3+ +Br- n = 6 w = ; (1/2)np n = 5; w = ; (3/2)nd eV Gr:27Lay:16 date created:

14 Images (xx): CH3+ CH3+ +Br- Ry(2hv/cm-1): 67275(13.9.16))
66503(8.9.16) 66019 (6.9.16) CH3+ +Br- Gr:11, Lay:2 date created:

15 KERs (xx): CH3+ CH3+ +Br- Ry(2hv/cm-1): 74249(15.9.16) 72973(7.9.16)
68684( ) CH3+ +Br- Gr:11, Lay:2 date created:

16 KERs (xx): CH3+ CH3+ +Br- Ry(2hv/cm-1): 78370(12.9.16) 77165(15.9.16)
75905( ) Gr:11, Lay:2 date created:

17 Clear shift of peaks as 66019 -> 66503
CH3+: Clear shift of peaks as > 66503 More peaks appear as > 66503 Peak structure looks like vibrational structure Possible interpretation: Molecular excitation Dissoci- ation Fragment ionization CH Br/Br* Intensity CH3**(v´+n) + Br/Br* : CH3**(v´) Br/Br* CH3Br** (Ry) KER Vibrational ladder for a particular vibrational mode (for example OPLA vibration) CH3Br

18 Possible explanation for rings observed in the CH3+ spectra:
CH3+ + Br**(i) CH3Br# (5) : CH3* + Br**(i) : (4) (3) (2) (1) CH3* + Br**(1) CH3Br** i.e. (2r+2+1i)REMPI 5hv CH3Br

19 CH2+

20 KERs (xx): CH2+ Ry(2hv/cm-1): CH3+ + Br- 79610(16.9.16) 78370(12.9.16)
77165( ) 75905( ) 74249( ) 72973(7.9.16) 68684( ) 67275( )) 66503(8.9.16) 66019 (6.9.16) CH3+ + Br- Gr:12, Lay:3 date created:

21 Images (xx): CH2+ CH3+ + Br- Ry(2hv/cm-1): 67275(13.9.16))
66503(8.9.16) 66019 (6.9.16) CH3+ + Br- Gr:12, Lay:3 date created:

22 KERs (xx): CH2+ CH3+ + Br- Ry(2hv/cm-1): 75905(14.9.16 72973(7.9.16)
68684( ) CH3+ + Br- Gr:12, Lay:3 date created:

23 KERs (xx): CH2+ CH3+ + Br- Ry(2hv/cm-1): 78370(12.9.16)
Gr:12, Lay:3 date created:

24 CH+

25 KERs (xx): CH+ Ry(2hv/cm-1): 78370(12.9.16)
75905( ) 72977(7.9.16) 68684( ) 67273 ( ) 66019 (6.9.16) CH3+ + Br- Gr:23, Lay:12 date created:

26 79Br+

27 KERs (xx): 79Br+ Ry(2hv/cm-1): CH3+ + Br- 79610(16.9.16)
78370( ) 77165( ) 75905( ) 72977(7.9.16) 68684( ) ( ) 66019 (6.9.16) CH3+ + Br- Gr:24, Lay:13 date created:

28 KERs (xx): 79Br+ Ry(2hv/cm-1): 68684(14.9.16) 67273 (13.9.16)
66019 (6.9.16) CH3+ + Br- Gr:24, Lay:13 date created:

29 KERs (xx): 79Br+ Ry(2hv/cm-1): 78370(12.9.16) 75905(14.9.16)
72977(7.9.16) CH3+ + Br- Gr:24, Lay:13 date created:

30 KERs (xx): 79Br+ Ry(2hv/cm-1): 79610(16.9.16) CH3+ + Br-
Gr:24, Lay:13

31 C79Br+

32 KERs (xx): C79Br+ Ry(2hv/cm-1): 78370(12.9.16) 72977(7.9.16)
68684( ) 67273 ( ) 66019 (6.9.16) CH3+ + Br- Gr:25, Lay:14 date created:

33 X vs Z data:

34 KERs (xx) & (zz): CH3+ eV Ry(2hv/cm-1): 66503(8.9.16)
Gr:13, Lay:4 date created:

35 KERs (xx) & (zz): CH3+ eV Ry(2hv/cm-1): 66019(6.9.16)
Gr:13, Lay:4 date created:

36 KERs (xx) & (zz): CH3+ eV Ry(2hv/cm-1): 77165(15.9.16)
Gr:28, Lay:17 date created:

37 KERs (xx) & (zz): CH3+ eV Ry(2hv/cm-1): 79610(16.9.16)
Gr:29, Lay:18 date created:

38 Energetics

39 Energetics with respect to possible CH3+ formation:
Study range cm-1 Energetics with respect to possible CH3+ formation: 33009 029 66019 33009 r/A Gr:0; Lay:0

40 Energetics with respect to possible CH2+ formation:
Study range cm-1 Energetics with respect to possible CH2+ formation: 66019 33009 33009 99029 66019 33009 CH3**+Br r/A Gr:0; Lay:0

41 Images vs. KERs:

42 Ry(78370); 255.233 nm; Date: 160912 CH3+ CH2+ CH+ KERs: eV
Gr:17,Lay: Gr:18,Lay:7, Gr:19,Lay:8

43 Hint of a „shoulder“ from the „blob“
Ry(78370); nm; Date: CH3+ CH2+ Hint of a „shoulder“ from the „blob“ eV Gr:17,Lay:9

44 Ry(78370); 255.233 nm; Date: 160912 79Br+ C79Br+ KERs: eV
Gr:20,Lay:1; Gr:21, Lay:10

45 Comparison for C79Br+ and C81Br+(CH279Br+) signals for
Ry(67275; ): Virtually identical eV Gr:26, Lay:15 date created:

46 Angular distributions: X files

47 CH3+:

48 pix q Ry(2hv/cm-1): 66019(6.9.16) b2 = 1.3838 b2 = 1.2627 b2 = 1.2932
Gr:32, Lay:19 Gr:24, Lay:10 angul.d. 

49 pix q Ry(2hv/cm-1): 66503(8.9.16) b2 = 0.88204 b2 = 0.69009
Gr:33, Lay:20 Gr:24, Lay:11 angul.d. 

50 pix q Ry(2hv/cm-1): 67275(13.9.16) b2 = 1.1489 b2 = 1.1593 b2 = 1.2221
Gr:34, Lay:21 Gr:22, Lay:12 angul.d. 

51 pix q Ry(2hv/cm-1): 68684(14.9.16) b2 = 0.81842 b2 = 0.71876
Gr:35, Lay:22 Gr:26, Lay:13 angul.d. 

52 b2 = Ry(2hv/cm-1): 72977(7.9.16) pix q Gr:38, Lay:25 Gr:28, Lay:16 angul.d. 

53 b2 = Ry(2hv/cm-1): 74249( ) pix q Gr:37, Lay:24 Gr:27, Lay:15 angul.d. 

54 pix q Ry(2hv/cm-1): 75905(14.9.16) b2 = -0.049622 b2 = -0.066922
Gr:36, Lay:23 Gr:25, Lay:14 angul.d. 

55 X Z eV q Ry(2hv/cm-1): 77165(15.9.16) b2 = 1.0978 b2 = 1.5678
Gr:20, Lay:8

56 X Z eV q Ry(2hv/cm-1): 79610(16.9.16) b2 = 1.4741 b2 = -0.23585
Gr:19, Lay:7

57 https://notendur. hi. is/~agust/rannsoknir/Crete16/PXP-160915
Gr:11, Lay:2 Gr:21, Lay:9

58 Br+: Ry(2hv/cm-1): 79610(16.9.16) 78370(12.9.16) 77165(15.9.16)
75905( ) 72977(7.9.16) 68684( ) ( ) 66019 (6.9.16) Br+:

59 Ry(2hv/cm-1): 66019 (6.9.16) b2 = Gr:40, Lay:27 Gr:38, Lay:26 angul.d. 

60 Ry(2hv/cm-1): 67273 ( ) b2 = 1.553 Gr:41, Lay:28 Gr:37, Lay:25 angul.d. 

61 Ry(2hv/cm-1): 68684( ) b2 = Gr:42, Lay:29 Gr:36, Lay:24 angul.d. 

62 Ry(2hv/cm-1): 72977(7.9.16) b2 = Gr:43, Lay:30 Gr:29, Lay:17 angul.d. 

63 Ry(2hv/cm-1): 75905( ) b2 = Gr:44, Lay:31 Gr:39, Lay:27 angul.d. 

64 Ry(2hv/cm-1): 77165( ) b2 = b2 = Gr:45, Lay:32 Gr:35, Lay:23 angul.d. 

65 Ry(2hv/cm-1): 78370( ) b2 = b2 =1.0963 Gr:46, Lay:33 Gr:34, Lay:22 angul.d. 

66 Ry(2hv/cm-1): 79610( ) b2 = Gr:47, Lay:34 Gr:33, Lay:21 angul.d. 

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