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# Experimental Barriers to Internal Rotation for CH2ClCHO (chloroacetaldehyde)

2015 10 30 09 35
Data from:
1990Dur/Pha:459
Durig JR, Phan HV, Little TS, Tolley CL "Far-Infrared Spectrum, Conformational Stability, Barriers to Internal Rotation, Normal Coordinate Calculations, and Vibrational Assignment for Choloracetaldehyde" Struct. Chem. 1, 1990, 459-472
V1=414 V2=191 V3=-203 V4=44 V6=-26 cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 19.02 1590
1 15 7.14 597
1 30 0.00 0
1 45 32.87 2748
1 60 95.77 8006
1 75 175.38 14660
1 90 289.52 24202
1 105 426.07 35617
1 120 505.77 42279
1 135 469.16 39219
1 150 358.53 29971
1 165 263.49 22026
1 180 230.02 19228
1 195 263.49 22026
1 210 358.53 29971
1 225 469.16 39219
1 240 505.77 42279
1 255 426.07 35617
1 270 289.52 24202
1 285 175.38 14660
1 300 95.77 8006
1 315 32.87 2748
1 330 0.00 0
1 345 7.14 597
1 360 19.02 1590

Atoms in torsion 1 are 3, 1, 2, 4
The rotor type is CHO

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