II.B.6. |
Experimental Barriers to Internal Rotation for CH3CHOHCH3 (Isopropyl alcohol)
Data from:1970Kon/Hir:97
S Kondo, E Hirota "Microwave spectrum and Internal Rotation of Isopropyl Alcohol" J. Mol. Spec. 34, 97-107 (1970)
V3=1.68 kcal/mol
torsion index | Angle | Energy (kJ mol-1) | Energy (cm-1) |
---|---|---|---|
1 | 0 | 7.03 | 588 |
1 | 15 | 6.00 | 502 |
1 | 30 | 3.51 | 294 |
1 | 45 | 1.03 | 86 |
1 | 60 | 0.00 | 0 |
1 | 75 | 1.03 | 86 |
1 | 90 | 3.51 | 294 |
1 | 105 | 6.00 | 502 |
1 | 120 | 7.03 | 588 |
1 | 135 | 6.00 | 502 |
1 | 150 | 3.51 | 294 |
1 | 165 | 1.03 | 86 |
1 | 180 | 0.00 | 0 |
1 | 195 | 1.03 | 86 |
1 | 210 | 3.51 | 294 |
1 | 225 | 6.00 | 502 |
1 | 240 | 7.03 | 588 |
1 | 255 | 6.00 | 502 |
1 | 270 | 3.51 | 294 |
1 | 285 | 1.03 | 86 |
1 | 300 | 0.00 | 0 |
1 | 315 | 1.03 | 86 |
1 | 330 | 3.51 | 294 |
1 | 345 | 6.00 | 502 |
1 | 360 | 7.03 | 588 |
Atoms in torsion 1 are 5, 1, 4, 12
The rotor type is OH
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