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- W2116334031 abstract "Ein MO-Modell nach der semiempirischen MINDO/2 Methode erklärt die Stereochemie in der 1,3-sigmatropen Umlagerung von Methylencyclobutan: 1. Retention der Konfiguration am wandernden Kohlenstoffatom durch „subjacent orbital control”︁ nach dem Konzept von Berson und Salem. 2. Antarafaciale Beteiligung der Allyleinheit als Konsequenz des Jahn-Teller-Effektes im Diradikal-Übergangszustand. Die quantenchemischen Rechnungen weisen darauf hin, daß der Mechanismus der Reaktion von Substituenten abhängt. On the Thermal of Rearrangement of Methylenecyclobutane—A MO-Study A MO-model by the semiempirical MINDO/2 method explains the experimental stereochemistry in the thermal rearrangement of methylenecyclobutane: 1. Retention of configuration at the migrating carbon atom due to “subjacent orbital control” as it has been suggested previously by Berson and Salem. 2. Antarafacial participation of the allyl unit due to Jahn-Teller instability in the diradical transition state. The quantumchemical studies suggest that the mechanism of the reaction depends on substituents." @default.
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- W2116334031 date "1975-04-01" @default.
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- W2116334031 title "Zur thermischen Umlagerung von Methylencyclobutan — eine MO‐Studie" @default.
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- W2116334031 doi "https://doi.org/10.1002/cber.19751080435" @default.
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