WOLFRAM|DEMONSTRATIONS PROJECT

Distribution of Conformers in Rotational Isomerism

​
trans/gauche conformers
full distribution
ΔE
1
(kJ/mol)
16
ΔE
2
(kJ/mol)
4
ΔE
3
(kJ/mol)
4
​
trans
gauche(-)
gauche(+)
This Demonstration shows the effects of rotational energy barriers on the temperature dependence of the mole fractions of trans and gauche conformers in substituted polymethylenes. The complete distribution of conformations at a selected temperature is also shown. Use the sliders to set the parameter values:
Δ
E
1
>Δ
E
2
and
Δ
E
1
>Δ
E
3
.