The Molecular Structure of Allenes and Ketenes, X [1] Electron Density Distributions in Allenes
作者： W. Runge , W. Kosbahn , J. Kroner
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摘要: On the basis of calculated CNDO/S electron densities. STO-3G gross atomic populations, and dipole moments density distributions in variously substituted allenes are investigated.—The structure π system monosubstituted influences substituents discussed terms conjugation, hyperconjugation. polarization effects.—For predictions total densities quality for carbon hydrogen atoms allenic skeleton a simple procedure is proposed. Auf der Grundlage von berechneten CNDO/S-Elektronendichten. STO-3G-Atompopulationen und Dipolmomenten werden die Elektronendichteverteilungen substituierter Allene untersucht.—Die Struktur des π-Systems monosubstituierter Substituenteneinflusse uber Konjugations-, Hyperkonjugations- Polarisationseffekte diskutiert.—Fur Vorhersage Gesamtelektronendichten Kohlen- Wasserstoffatome Allengerustes, qualitatsmasig denen CNDO/S-Rechnungen entsprechen, wird ein einfaches Verfahren vorgeschlagen.
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