Enamines I. Vinyl Amine,a Theoretical Study of its Structure,electrostatic potential,and proton affinity |
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Authors: | Klaus Mü ller,Leo D. Brown |
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Abstract: | The structure of vinyl amine and its reactivity towards a proton is studied by the PRDDO SCF MO method. The equilibrium structure is found to be non-planar and barriers to inversion- and rotation-dominated processes are calculated. Proton addition to vinyl amine, as a model of enamine protonation, is examined by means of electrostatic molecular potentials and C- versus N-proton affinities. |
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