II.B.6. |
Experimental Barriers to Internal Rotation for CH3CONH2 (Acetamide)
Data from:2002Yam/Hag:144
A Yamaguchi, S Hagiwara, H Odashima, K Takagi, S Tsunekawa "The Microwave Spectrum of Acetamide (CH3CONH2) in the Frequecny Range from 12 to 200 GHz" J. Mol. Spec. 215, 144-154, 2002
V3=24.3906 cm-1
torsion index | Angle | Energy (kJ mol-1) | Energy (cm-1) |
---|---|---|---|
1 | 0 | 0.00 | 0 |
1 | 15 | 0.04 | 4 |
1 | 30 | 0.15 | 12 |
1 | 45 | 0.25 | 21 |
1 | 60 | 0.29 | 24 |
1 | 75 | 0.25 | 21 |
1 | 90 | 0.15 | 12 |
1 | 105 | 0.04 | 4 |
1 | 120 | 0.00 | 0 |
1 | 135 | 0.04 | 4 |
1 | 150 | 0.15 | 12 |
1 | 165 | 0.25 | 21 |
1 | 180 | 0.29 | 24 |
1 | 195 | 0.25 | 21 |
1 | 210 | 0.15 | 12 |
1 | 225 | 0.04 | 4 |
1 | 240 | 0.00 | 0 |
1 | 255 | 0.04 | 4 |
1 | 270 | 0.15 | 12 |
1 | 285 | 0.25 | 21 |
1 | 300 | 0.29 | 24 |
1 | 315 | 0.25 | 21 |
1 | 330 | 0.15 | 12 |
1 | 345 | 0.04 | 4 |
1 | 360 | 0.00 | 0 |
Atoms in torsion 1 are 4, 2, 1, 5
The rotor type is CH3
Got a better number? Please email us at
cccbdb@nist.gov