On the basis of calculated CNDO/S electron densities. STO‐3G gross atomic populations, and dipole moments the electron density distributions in variously substituted allenes are investigated.—The structure of the π system in monosubstituted allenes and the influences of the substituents are discussed in terms of conjugation, hyperconjugation. and polarization effects.—For the predictions of total electron densities of CNDO/S quality for the carbon and the hydrogen atoms of the allenic skeleton a simple procedure is proposed.
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Runge et al. (1977) studied this question.
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