return to home page

II.B.6.

Experimental Barriers to Internal Rotation for CH3OH+ (Methyl alcohol cation)

Data from:
1984Her/Mes:42
E Herbst, JK Messer, FC DeLucia "A new Analysis and Additional Measurements of the millimeter and Submillimeter Spectrum of Methanol" J. Mol. Spect. 108, 42-57, 1984
V3=373.08395, V6=-0.80 cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 4.46 373
1 15 3.80 318
1 30 2.22 186
1 45 0.65 54
1 60 0.00 0
1 75 0.65 54
1 90 2.22 186
1 105 3.80 318
1 120 4.46 373
1 135 3.80 318
1 150 2.22 186
1 165 0.65 54
1 180 0.00 0
1 195 0.65 54
1 210 2.22 186
1 225 3.80 318
1 240 4.46 373
1 255 3.80 318
1 270 2.22 186
1 285 0.65 54
1 300 0.00 0
1 315 0.65 54
1 330 2.22 186
1 345 3.80 318
1 360 4.46 373

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

picture of Methyl alcohol cation

Got a better number? Please email us at cccbdb@nist.gov