CH3Br, 270110

HBr spectra

Agust, heima,... Jan10/CH3Br18750_19250-Hbr-sim-050110km-270110ak.pxpAgust, www, ...Jan10/PPT-270110ak.ppt

75204.554 cm-1

37602.277

CH3Br10k

40k

70k 72301.6

CH3Br* C*(1D2)+H2+HBr

0 12

C**(1D2)+H2+HBr

J’’

147506.154

130k

150k C++H2+HBr+e-152926.9Thus for example:

Analyse HBr REMPIin neighbourhood of75200 cm-1

HBr REMPI spectra:1) See our paper: JCP, 112(24), 10811, (2000):

Main reference for HBr (2+1)REMPI is:R. Callaghan & RJ Gordon, JCP, 93(7), 4624, (1990):

http://www3.hi.is/~agust/rannsoknir/papers/jcp93-4624-90.pdf

Look for H79Br+ and/or H81Br+ ion signals vs 2hv in that region

1.0

0.5

0.0

-0.5

75.575.475.375.2x10

3

Simulation (from KM):

-22

-20

-18

-16

-14

-12

-10

-8

7654321

-0.6

-0.4

-0.2

0.0

37.70x103

37.6837.6637.6437.622xh[cm

-1]

Experimental

Calculated

Coefficient values ± one standard deviation a = -4.8333 ± 0.312 b = -1.35 ± 0.144

agust,heima,...Jan10/CH3Br18750_19250-Hbr-sim-050110km-270110ak.pxp

7 5

DJ

DJ=

Dnjucm-1

b = -1.35 ± 0.144

Assuming b =2(B´-B´´) = -1.35 =>

(B´-B´´) = -0.675 =>B´= 8.348244 -0.675 = 7.673244

The deviation from linearity could be due to effect of D´ (?)In which case Dnju =

-22

-20

-18

-16

-14

-12

-10

-8

7654321

Coefficient values ± one standard deviation K0 = -3.3488 ± 0.475 K1 = -3.4892 ± 0.479 K2 = 0.87454 ± 0.135 K3 = -0.11082 ± 0.0111

-22

-20

-18

-16

-14

-12

-10

-8

8765432

Coefficient values ± one standard deviation K0 = 1.1258 ± 1.08 K1 = -5.5708 ± 0.778 K2 = 1.207 ± 0.168 K3 = -0.11082 ± 0.0111

-22

-20

-18

-16

-14

-12

-10

-8

9876543

Coefficient values ± one standard deviation K0 = 8.0145 ± 2.03 K1 = -8.3173 ± 1.14 K2 = 1.5395 ± 0.201 K3 = -0.11082 ± 0.0111

-22

-20

-18

-16

-14

-12

-10

-8

10987654

Coefficient values ± one standard deviation K0 = 17.982 ± 3.38 K1 = -11.729 ± 1.58 K2 = 1.872 ± 0.234 K3 = -0.11082 ± 0.0111

It is difficult to simulate the spectrum by using B´and D´parameters for theg state.Hence large perturbation / possibly another spectral system in that region