HBr, BW analysis F(1) agust,www,....Jan12/PPT-160112ak.ppt agust,heima,...Jan12/XLS-160112ak.xls agust,heima,...Jan12/PXP_160112ak.pxp

F vs V(m+7) BW DE Dn(k=1) J´ 79 81 2 -146.2 -145.8 0.037958 0.038063 3 https://notendur.hi.is/jil3/work/Discussion/Lifetime%20or%20linewidth%20calculation.pdf F vs V(m+7)    BW DE Dn(k=1) J´ 79 81 2 -146.2 -145.8 0.037958 0.038063 3 -124.5 -124.3 0.089169 0.089313 4 -94 -95 0.196972 0.194895 5 -43 -44 0.650124 0.635129 6 14 3.122647 7 74 0.70319 8 139 138.5 0.479861 0.4816 9 210 0.396718 W12= 4.4 cm-1 https://notendur.hi.is/agust/rannsoknir/rempi/hbr/June11/PPT-141211aka.ppt W12´= 0.68 agust,heima,...Jan12/XLS-160112ak.xls

BW(rel) J´ Agust,heima,...Jan12/PXP_160112ak.pxp

The large BW for V(m+7) must be due to strong coupling(s) 1) Which could be a combination of a) bound-bound coupling followed by b) predissociation (bound-free coupling) Or 2) Direct bound-free coupling (more unlikely) Also the “out of phase” BW and IR, by J´s for F(1) suggest that the IR reflects the F<-> V(m+7) coupling whereas the BW reflects the predissociation pathway.

m+9 F(1) f(1)

BW effects: Large Medium ? small V(m+7) E(1) H(0) small F(1) f(1) F(1) H + Br/Br*

LS effects: J´-1 V(m+7) E(1) large line shifts Line shifts due to ?? J´-1 H(0) F(1) F(1) f(1) Weak line shifts H + Br/Br*

IR effects: HBr+/Br+ V(m+7) E(1) m+9 H(0) F(1) F(1) f(1) H + Br/Br*