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Semiempirical and ab initio MO calculations were performed to estimate the structural parameters of tert-butylammonium ion and its potential energies for the internal rotation of the CH 3  and NH 3  +  groups. The barrier height for the rotation of NH 3  +  was found to be lower than for that of CH 3  , corresponding to the C - N bond being longer than the C - C bond.

Structural Parameters and Internal Rotational Barriers of tert-Butylammonium Ion: AM1 and ab initio Calculations