Abstract

The bond dissociation energies (BDE) of H{sub 2}NNH{sub 2}, HONH{sub 2} and FNH{sub 2} have been calculated using Pople`s G1 procedure, and the known BDE for hydrazine is well reproduced. The BDE`s of MeX, H{sub 2}NX, HOX and FX derivatives where X = Me, H{sub 2}N, HO, and F, are compared, and the differences are related to changes in hybridization, internal Coulombic stabilization and lone pair-lone pair repulsion. 20 refs., 6 figs., 6 tabs.

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