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II.B.6.

Experimental Barriers to Internal Rotation for C6H5CHCH2 (Styrene)

Data from:
1988Cam/Vog:384
W Caminati, B Vogelsanger, A Bauder "Rotational Spectrum of Styrene Observed by Microwave Fourier Transform Spectroscopy" J. Mol. Spec. 128, 384-398 (1988)
V2=1151(20) V4=-276(7) cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 15 0.10 8
1 30 0.97 81
1 45 3.58 299
1 60 7.85 656
1 75 12.02 1005
1 90 13.77 1151
1 105 12.02 1005
1 120 7.85 656
1 135 3.58 299
1 150 0.97 81
1 165 0.10 8
1 180 0.00 0
1 195 0.10 8
1 210 0.97 81
1 225 3.58 299
1 240 7.85 656
1 255 12.02 1005
1 270 13.77 1151
1 285 12.02 1005
1 300 7.85 656
1 315 3.58 299
1 330 0.97 81
1 345 0.10 8
1 360 0.00 0

Atoms in torsion 1 are 2, 1, 7, 8
The rotor type is C2H3

picture of Styrene

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