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- W2040385635 abstract "INDO- und CNDO-MO-Berechnungen der weitreichenden Kopplungen im Vinylcyclopropan und Vergleich mit entsprechenden Rechnungen an Propan, Propen und Butadien sowie mit experimentellen Ergebnissen zeigen, daß die Größe der allylischen Kopplungen J2,4 und J3,4 (Numerierung s. Formel 1) mit einem Hybridisierungsgrad der Cyclopropyl-Kohlenstoffatome zwischen sp2 und sp3 vereinbar ist. Die Konjugation zwischen Ring und Doppelbindung kommt jedoch weder in großen π-Beiträgen zu den pseudoallylischen (J1,5 und J1,6) noch zu den Kopplungen über fünf Bindungen zum Ausdruck. INDO and CNDO MO Calculations of Long-Range Coupling Constants in Vinylcyclopropane INDO and CNDO MO calculations of long-range coupling constants in vinylcyclopropane and comparison with analogous calculations of propane, propene, and butadiene as well as with experimental values show that the magnitudes of the allylic couplings J2,4 and J3,4 (numbering see formula 1) are compatible with hybridization of the cyclopropyl carbon atoms between sp2 and sp3. Conjugation between ring and double bond, however, is not reflected by large π-contributions to pseudoallylic (J1,5 and J1,6) nor to five bond couplings." @default.
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- W2040385635 date "1972-07-01" @default.
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- W2040385635 title "INDO‐ und CNDO‐MO‐Berechnungen von weitreichenden H, H‐Kopplungen im Vinylcyclopropan" @default.
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- W2040385635 doi "https://doi.org/10.1002/cber.19721050730" @default.
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