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Energetics of c-c bond rotation

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Energetics of bond rotation in 1,2-dichloroethane

Energetics of C-C bond rotation (dihedral angle driver).

9calculate and plot energies at dihedral angles from 0o to 360o to produce a torsion angle energy profile. As an alternative, you could calculate the energy of 13 different conformations of 1,2- dichloroethane with the Cl-C-C-Cl torsional angle differing by 30o for each conformer. You will then need to plot this data from 0o to 360o to produce a torsion angle energy profile. Discuss your findings, paying particular attention to the least and most favoured conformations, and also the shape of the torsion angle energy profile.

Discuss your findings, paying particular attention to the least and most favoured conformations.

Discuss and explain the shape of the torsion/dihedral angle energy profile, and relate it to the geometry of the molecule for each minimum/maximum in the energy profile.

Reference no: EM131634761

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