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II.B.6.

Experimental Barriers to Internal Rotation for C3H4O (Methylketene)

Data from:
1966Bak/Chr:883
B Bak, JJ Christiansen, K Kuntsmann, L Nygaard, J Rastrup-Andersen "Microwave Spectrum, Molecular Structure, Barrier to Internal Rotation, and Dipole Moment of Methylketene" J. Chem. Phys. 45(1), 883, 1966
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 15 0.72 60
1 30 2.46 205
1 45 4.20 351
1 60 4.92 411
1 75 4.20 351
1 90 2.46 205
1 105 0.72 60
1 120 0.00 0
1 135 0.72 60
1 150 2.46 205
1 165 4.20 351
1 180 4.92 411
1 195 4.20 351
1 210 2.46 205
1 225 0.72 60
1 240 0.00 0
1 255 0.72 60
1 270 2.46 205
1 285 4.20 351
1 300 4.92 411
1 315 4.20 351
1 330 2.46 205
1 345 0.72 60
1 360 0.00 0

Atoms in torsion 1 are 1, 2, 3, 6
The rotor type is CH3

picture of Methylketene

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