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

2. F vs V(m+7) BW DE Dn(k=1) J´ 79 81 2 -146.2 -145.8 0.037958 0.038063 3
F vs V(m+7)
 BW DE
Dn(k=1) J´ 79 81 2
-146.2
-145.8 3
-124.5
-124.3 4
-94
-95 5
-43
-44 6 14 7 74 8
139
138.5
0.4816 9
210
W12=
4.4
cm-1
W12´=
0.68
agust,heima,...Jan12/XLS ak.xls

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

4. 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.

5. m+9
F(1)
f(1)

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

7. 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*

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