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II.B.6.

Experimental Barriers to Internal Rotation for H2NCH2COOH (Glycine)

Data from:
1991Iij/Tan:257
K Iijima, K Tanaka, S Onuma "Main conformer of gaseous glycine: molecular structure and rotational barrier from electron diffraction data and rotational constants" J. Mol. Struct. 246 (1991), 257-266
V1=454.7, V2=944.4 cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 5.44 455
1 15 6.10 510
1 30 7.90 660
1 45 10.29 860
1 60 12.55 1049
1 75 13.96 1167
1 90 14.02 1172
1 105 12.56 1050
1 120 9.83 822
1 135 6.45 539
1 150 3.19 267
1 165 0.85 71
1 180 0.00 0
1 195 0.85 71
1 210 3.19 267
1 225 6.45 539
1 240 9.83 822
1 255 12.56 1050
1 270 14.02 1172
1 285 13.96 1167
1 300 12.55 1049
1 315 10.29 860
1 330 7.90 660
1 345 6.10 510
1 360 5.44 455

Atoms in torsion 1 are 3, 1, 4, 5
The rotor type is CH2NH2

picture of Glycine

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