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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

picture of Acetamide

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