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Chemistry
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ISBN: 9781305957404
Author: Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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For the hydroxyl rotation of vinyl alcohol, which conformation (1 or 2) would be more stable and why? Below is some helpful information. Thank you :)
Molecule | Electronic energy | Zero point vibrational energy |
Conformation 1 | -153.805672 | 0.056715 |
Conformation 2 | -153.802228 | 0.056237 |
Transition state | -153.796260 | 0.055361 |
Energy difference between conformations 1 and 2: -9.04 kJ mol-1
Reaction barrier (activation energy) of the rotation: 21.2 kJ mol-1
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