1 | Author | Gernot Frenking, Helmut Schwarz | Requires cookie* |
Title | Frontorbitale und 1.2-Hydridwanderungen in Carbeniumionen Frontier Orbitals and 1,2-Hydrogen Shifts in Carbenium Ions ![]() | ||
Abstract | For various carbenium ions it is shown that the energy value and the degree of localiza-tion 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. | ||
Reference | Z. Naturforsch. 36b, 797—801 (1981); eingegangen am 10. März 1981 | ||
Published | 1981 | ||
Keywords | Carbocation Chemistry, 1, 2-Hydrogen Migration, Frontier Orbitals, Quantum Mechanical Calculations, Transition States | ||
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