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Alkanes: Introduction and Chemical Bond

Alkanes: Conformation of Pentane

The dynamics of higher hydrocarbons are even more complex. In pentane, two C-C-C-C dihedral angles can be varied simultaneously. This results in 9 rotamers overall, all of which are energy minima.

Energy hypersurface of pentane: Rotation around both central C-C single bonds

3D Models and properties of the energy minima of pentane

A molecular dynamics simulation calculation gives an insight into the flexibility of the pentane molecule at room temperature.

3D Animation of the molecular motion of a pentane molecule

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