Molekule

ṽ/cm−1

λ/μm

ν/PHz

E/kJmol−1

Θ/K

CVϑ/J·K−1·m−3

H2O

Normal-modes

ṽ1 = 3656.7

ṽ2 = 1594.8

ṽ3 = 3755.8

λ1 = 2.73

λ2 = 6.27

λ3 = 2.66

ν1 = 0.11

ν2 = 0.05

ν3 = 0.11

E1 = 43.74

E2 = 19.08

E3 = 44.93

Θ1 = 5261.22

Θ2 = 2294.58

Θ3 = 5403.81

2.2 × 10−5

0.13

1.4 × 10−5

CO2

Normal-modes

ṽ1 = 1388

ṽ2 = 667.4

ṽ3 = 2349

λ1 = 7.20

λ2 = 14.98

λ3 = 4.257

ν1 = 0.04

ν2 = 0.02

ν3 = 0.07

E1 = 16.60

E2 = 7.984

E3 = 28.10

Θ1 = 1997.04

Θ2 = 960.248

Θ3 = 3379.72

6.5 × 10−3

5.9 × 10−2

1.5 × 10−4