References
509
9. Calculate the equilibrium constant K P for the gaseous reaction
2HI(g) H 2 (g) + I 2 (g)
using the following spectroscopic data [K. P. Huber and G. Herzberg [1]]:
Molecule
H 2
1 +
g
I 2
1 +
g
HI( 1 + )
B/cm −1
59.052
0.0368
6.3415
ν osc /cm −1 4158.87
213.28
2229.66
D 0 /eV
4.47813
1.54238
3.0541
Plot K P (T ) as a function of temperature for the temperature range 300 K ≤
T ≤ 3000 K. In particular, compare your calculated values with the experimental
values reported by Taylor and Crist [2].
T /K 10 2 K P
T /K 10 2 K P
666.8 1.639 ± 0.010 730.8 2.018 ± 0.006
1.645 ± 0.009
2.007 ± 0.008
698.6 1.812 ± 0.007 763.8 2.192 ± 0.007
1.811 ± 0.002
2.172 ± 0.004
References
1. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic
Molecules (Van Nostrand–Reinhold, New York, 1979). Also found online at https://webbook.
nist.gov/
2. A.H. Taylor, Jr., R.H. Crist, J. Amer. Chem. Soc. 63, 1377 (1941)
509
9. Calculate the equilibrium constant K P for the gaseous reaction
2HI(g) H 2 (g) + I 2 (g)
using the following spectroscopic data [K. P. Huber and G. Herzberg [1]]:
Molecule
H 2
1 +
g
I 2
1 +
g
HI( 1 + )
B/cm −1
59.052
0.0368
6.3415
ν osc /cm −1 4158.87
213.28
2229.66
D 0 /eV
4.47813
1.54238
3.0541
Plot K P (T ) as a function of temperature for the temperature range 300 K ≤
T ≤ 3000 K. In particular, compare your calculated values with the experimental
values reported by Taylor and Crist [2].
T /K 10 2 K P
T /K 10 2 K P
666.8 1.639 ± 0.010 730.8 2.018 ± 0.006
1.645 ± 0.009
2.007 ± 0.008
698.6 1.812 ± 0.007 763.8 2.192 ± 0.007
1.811 ± 0.002
2.172 ± 0.004
References
1. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic
Molecules (Van Nostrand–Reinhold, New York, 1979). Also found online at https://webbook.
nist.gov/
2. A.H. Taylor, Jr., R.H. Crist, J. Amer. Chem. Soc. 63, 1377 (1941)