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🆕 Date Issued:
1981
🗄 In DepositOnce:2019-01-04
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Frontorbitale und 1.2-Hydridwanderungen in Carbeniumionen

Frenking, Gernot; Schwarz, Helmut

For various carbenium ions it is shown that the energy value and the degree of localization of the LUMO have a significant influence on the energy barriers of 1,2-hydrogen shifts. The structures of the transition states are in line with the Hammond-Postulate.
carbocation chemistry1,2-hydrogen migrationfrontier orbitalsquantum mechanical calculationstransition states
Published in: Zeitschrift für Naturforschung B, 10.1515/znb-1981-0705, De Gruyter
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