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Experimental Barriers to Internal Rotation for BH3NH3 (borane ammonia)

2015 10 30 09 35
Data from:
1983Tho/Sue:167
LR Thorne, RD Suenram, FJ Lovas "Microwave spectrumm, torsional barrier, and structure of BH3NH3" J. Chem. Phys. 1983, 78, 167-171
V3 = 2.008 kcal mol-1 (702 cm-1)
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 8.40 702
1 15 7.17 599
1 30 4.20 351
1 45 1.23 103
1 60 0.00 0
1 75 1.23 103
1 90 4.20 351
1 105 7.17 599
1 120 8.40 702
1 135 7.17 599
1 150 4.20 351
1 165 1.23 103
1 180 0.00 0
1 195 1.23 103
1 210 4.20 351
1 225 7.17 599
1 240 8.40 702
1 255 7.17 599
1 270 4.20 351
1 285 1.23 103
1 300 0.00 0
1 315 1.23 103
1 330 4.20 351
1 345 7.17 599
1 360 8.40 702

Atoms in torsion 1 are 3, 1, 2, 6
The rotor type is BH3

picture of borane ammonia

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