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
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
Physical Chemistry
2nd Edition
ISBN:9781133958437
Author:Ball, David W. (david Warren), BAER, Tomas
Publisher:Ball, David W. (david Warren), BAER, Tomas
Chapter14: Rotational And Vibrational Spectroscopy
Section: Chapter Questions
Problem 14.75E
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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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