HBr BW analysis F1 agust www Jan 12PPT160112

HBr, BW analysis F(1) agust, www, . . Jan 12/PPT-160112 ak. ppt agust, heima, . . . Jan 12/XLS-160112 ak. xls agust, heima, . . . Jan 12/PXP_160112 ak. pxp

https: //notendur. hi. is/jil 3/work/Discussion/Lifetime%20 or%20 linewidth%20 calculation. pdf F vs V(m+7) DE J´ 2 3 4 5 6 7 8 9 W 12= W 12´= agust, heima, . . . Jan 12/XLS-160112 ak. xls BW Dn(k=1) DE 79 -146. 2 -124. 5 -94 -43 14 74 139 210 4. 4 cm-1 0. 68 cm-1 81 -145. 8 -124. 3 -95 -44 14 74 138. 5 210 BW 79 0. 037958 0. 089169 0. 196972 0. 650124 3. 122647 0. 70319 0. 479861 0. 396718 https: //notendur. hi. is /agust/rannsoknir/re mpi/hbr/June 11/PPT 141211 aka. ppt 81 0. 038063 0. 089313 0. 194895 0. 635129 3. 122647 0. 70319 0. 4816 0. 396718

BW(rel) J´ Agust, heima, . . . Jan 12/PXP_160112 ak. 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 V(m+7) small E(1) H(0) m+9 small F(1) H + Br/Br* f(1) F(1)

LS effects: J´-1 V(m+7) E(1) large line shifts Line shifts due to V(m+7, 8, 9, . . m+9 J´-1 F(1) H + Br/Br* f(1) ? ? H(0) F(1) Weak line shifts

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