Abstract
The FSGO method has been used, with a minimal basis set, to study the potential energy variation with internal rotation in the molecules CH3NH2, CH3OH, N2H4 and NH2OH (H2O2 was studied previously). The calculated results are in qualitative agreement with experiment, except for molecules for which the calculated inter-bond angles are too small (N2H4). When the experimental angles are used in this calculation, the shape of the potential energy curve is in reasonable agreement with experiment. The nature of the potential energy barriers is investigated, and it is concluded that the attractive and repulsive forces are at a maximum for the equilibrium configurations of the molecules.
Published Version
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