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II.B.6.

Experimental Barriers to Internal Rotation for C2H6+ (ethane cation)

Data from:
Gurvich
Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
V3=1024 cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 12.25 1024
1 15 10.46 874
1 30 6.12 512
1 45 1.79 150
1 60 0.00 0
1 75 1.79 150
1 90 6.12 512
1 105 10.46 874
1 120 12.25 1024
1 135 10.46 874
1 150 6.12 512
1 165 1.79 150
1 180 0.00 0
1 195 1.79 150
1 210 6.12 512
1 225 10.46 874
1 240 12.25 1024
1 255 10.46 874
1 270 6.12 512
1 285 1.79 150
1 300 0.00 0
1 315 1.79 150
1 330 6.12 512
1 345 10.46 874
1 360 12.25 1024

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

picture of ethane cation

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