HBr E0 KER predictions vs KER spectra Agust
HBr, E(0) KER predictions vs KER spectra Agust, Lab-top, C: /…/HBr-E 0 -KER-131106. ppt Agust, lab top, C: /…/E 0 -KER-131106 a. pxp Agust, lab top, C: /…/XLS-131106. xlsx Agust, Lab top, C: , …. /XLS-131107 ak. xlsx Agust, lab top, C: /…/E 0 -KER-131107. pxp Agust, lab top, C: /…/E 0 -KER-131107 a. pxp Agust, Lab top, C: , …. /XLS-131107 aka. xlsx Agust, lab top, C: /…/E 0 -KER-131107 b. pxp
HBr, E(v´=0) H+ + Br(3/2) Proton kinetic energy release spectra for Q lines vs. J´ H+ + Br(1/2) ? J´= 10 ? BLUE sticks: Predicted KER For 81 Br; See next slide 9 8 7 6 5 4 3 2 1 Agust, lab top, C: /…/E 0 -KER-131106 a. pxp KER/e. V
KER = 3 hn + E(J´´) –D 0(HBr)-E(H*)-SO(Br/Br*) For 81 Br: E(0) J´ 2 hv cm-1 3 hv cm-1 DE´´ cm-1 KER(Br(3/2)) cm-1 KER(Br(1/2)) KER(Br(3/2)) KER(Br(1/2)) cm-1 e. V 1 77938, 8 116908, 2 16, 695161 4455, 945161 770, 7051614 0, 552467059 0, 095555308 2 3 77935, 6 116903, 4 50, 077524 77931, 6 116897, 4 100, 13117 4484, 527524 799, 2875243 0, 556010822 0, 099099071 4528, 581169 843, 3411693 0, 56147278 0, 10456103 4 77926, 5 116889, 8 166, 83222 4587, 632217 902, 392217 0, 568794181 5 77920, 6 116880, 9 250, 14883 4662, 098828 976, 8588284 0, 578026868 0, 121115118 6 77913, 5 116870, 3 350, 0412 4751, 341204 1066, 101204 0, 589091518 0, 132179768 7 77905, 4 116858, 1 466, 46159 4855, 611586 1170, 371586 0, 602019404 0, 145107654 8 77895, 6 116843, 4 599, 35426 4973, 804256 1288, 564256 0, 616673435 0, 159761684 9 77883 116824, 5 748, 65554 10 77872, 1 116808, 2 914, 29379 5104, 205535 1418, 965535 0, 632841141 0, 11188243 0, 17592939 5253, 493786 1568, 253786 0, 651350534 0, 194438783 refs: B´´ = 8, 348244 cm-1 from AB_standard http: //www. raunvis. hi. is/~agust/rempisvaedidir/hbrabstand. htm D´´ = D 0= E(H*)= SO(Br)= factor= 3, 32 E-04 cm-1 30210 cm-1 82258, 95 cm-1 3685, 24 cm-1 0 cm-1 8065, 54 cm-1/e. V from AB_standard H. P. Loock, (2007), p: 3 http: //www. raunvis. hi. is/~agust/rempisvaedidir/hbrabstand. htm Agust, lab top, C: /…/XLS-131106. xlsx
HBr + 3 hv ->->-> HBr+ -> H+ + Br/Br*: HBr+: …NIST Þ OLD data! http: //www. sciencedirect. com/science/article/pii/S 0301010498002808# :
See calc. in agust, Lab top, C: , …. /XLS-131107. xlsx („KER, I, II“ and „KER, III, IV“)
Br+ KER ? Three possible mechanism: 1) Via Br** / Rydberg states formations (5 s, 5 p, 4 d(? )): i) HBr + 2 hv -> HBr**; ii) HBr** + hv -> (HBr##) -> H + Br** iii) Br** +hv -> Br+ + e 2) Via Br(3/2)/Br*(1/2) formations: a) 1 hv excitation process: i) HBr + hv -> HBr*(repulsive state); ii) HBr*(repulsive state) -> H + Br/Br* iii) Br/Br* + nhv -> Br+ + eb) 2 hv excitation process: i) HBr + hv -> HBr**(Ry) ii) HBr**(Ry) ->-> H + Br/Br* (predissociation) iii) Br/Br* + nhv -> Br+ + e- Agust, Lab top, C: , …. /XLS-131107. xlsx:
(1) (2 a) (2 b) E(0) Max: J´ KER(Br) e. V 1 2 3 4 5 6 7 8 9 10 2, 88616044 2, 889704203 2, 895166161 2, 90248756 2, 911720247 2, 922784896 2, 93571278 2, 950366809 2, 966534513 2, 985043904 (2+1)hv Br** KER(Br(3/2)) KER(Br(1/2)) e. V 1, 08809753 1, 092038042 1, 097995937 1, 105949656 1, 11591385 1, 127858786 1, 141790943 1, 157660018 1, 175389923 1, 195250743 0, 631185832 0, 635126344 0, 641084239 0, 649037958 0, 659002152 0, 670947089 0, 684879245 0, 70074832 0, 718478226 0, 738339045 hv Br/Br* 5, 919689154 5, 923431291 5, 929141217 5, 936778777 5, 946377217 5, 95788201 5, 97131203 5, 986573582 6, 003522387 6, 022707492 5, 462777456 5, 466519593 5, 47222952 5, 479867079 5, 489465519 5, 500970312 5, 514400333 5, 529661884 5, 546610689 5, 565795794 2 hv Br/Br*
HBr: From reprocessed (071113) data for E(0): I(H+ + Br(1/2)) I(H+ + Br(3/2)) J´ Agust, lab top, C: /…/E 0 -KER-131107 b. pxp (Gr 1, Lay 0 (<= Agust, Lab top, C: , …. /XLS-131107 aka. xlsx
From“newly processed“ data for E(0): I(H+ + Br(1/2)) I(H+ + Br(3/2)) Agust, lab top, C: /…/E 0 -KER-131107 b. pxp (Gr 1, Lay 0 (<= Agust, Lab top, C: , …. /XLS-131107 aka. xlsx
Old data I(H+ + Br(1/2)) I(H+ + Br(3/2)) Agust, lab top, C: /…/E 0 -KER-131106. pxp J´
HBr: From reprocessed (071113) data for E(0): I(H+ <- HBr+)a I(H+ + Br(3/2)) a: for KER region 1. 0 -2. 5 e. V J´ Agust, lab top, C: /…/E 0 -KER-131107 b. pxp (Gr 2, Lay 1 (<= Agust, Lab top, C: , …. /XLS-131107 aka. xlsx
Isotope separation (79 Br/81 Br) in KER spectra is negligible: 79 79 81 KER(Br(3/2)) KER(Br(1/2)) e. V 0, 552492774 0, 556037825 0, 561501715 0, 568825686 0, 578061584 0, 589130079 0, 602062441 0, 616721576 0, 632895008 0, 651410744 0, 09558108 0, 09912613 0, 10459002 0, 11191399 0, 12114989 0, 13221838 0, 14515074 0, 15980988 0, 17598331 0, 19449905 0, 552466995 0, 556010758 0, 561472716 0, 568794115 0, 578026802 0, 58909145 0, 602019335 0, 616673364 0, 632841068 0, 651350459 Agust, Lab top, C: , …. /XLS-131107 ak. xlsx („KER, 79 Br“) 81 0, 095555297 0, 09909906 0, 104561018 0, 111882417 0, 121115104 0, 132179753 0, 145107637 0, 159761666 0, 17592937 0, 194438761
HBr, E(0): H+ + Br(1/2) H+ + Br(3/2) Predicted KER´s for H+ + Brblack J´= 10 9 8 7 6 5 4 3 2 1 KER/e. V Agust, lab top, C: /…/E 0 -KER-131108. pxp; Gr: 0, Lay: 2 (<= Agust, Lab top, C: , …. /XLS-131107 ak. xlsx („H++Br-“))
HBr, E(0): J´= 10 9 8 7 6 5 4 3 2 1 KER/e. V
H+ + Br(3/2) <- HBr+(3/2) H+ + Br(1/2) <- HBr+(3/2) …for J´= 10 BLUE triangles: Predicted KER 9 8 7 6 5 4 3 V+ = 9 V+ = 10 8 11 9 12 10 13 11 2 14 12 13 KER/e. V Agust, lab top, C: /…/E 0 -KER-131124. pxp; Gr: 0, Lay: 0 (<= Agust, Lab top, C: , …. /XLS-131124. xlsx („KER, I, II“ )) 1
H+ + Br(3/2) <- HBr+(1/2) H+ + Br(1/2) <- HBr+(1/2) …for J´= 10 BLUE triangles: Predicted KER 9 8 7 6 5 4 3 V+ = 9 V+ = 6 10 7 11 8 12 9 13 10 14 11 KER/e. V Agust, lab top, C: /…/E 0 -KER-131124 a. pxp; Gr: 0, Lay: 0 (<= Agust, Lab top, C: , …. /XLS-131124. xlsx („KER, I, II“ )) 2 1
H+ + Br(3/2) <- HBr+(3/2) H+ + Br(1/2) <- HBr+(3/2) …for J´= 1 BLUE triangles: Predicted KER J´= 1 https: //notendur. hi. is/~agust/rann soknir/Crete/PXP-131208. pxp KER/e. V Agust, lab top, C: /…/E 0 -KER-131124 b. pxp; Gr: 0, Lay: 0 (<= Agust, Lab top, C: , …. /XLS-131124. xlsx („KER, I, II“ ))
HBr; 3/2 <-3/2 (bold sticks) & 1/2 <-1/2 (thin sticks) v+ = 8 10 11 12 13 9 10 E(0), J´=1 https: //notendur. hi. is/~agust/rannsoknir/Crete/PXP-131208. pxp KER/e. V
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