Eine PMO-theoretische Untersuchung der benzogenen Diels-Alder-Reaktion polycyclischer aromatischer Kohlenwasserstoffe / APMO-theoretical Treatment of the Benzogenic Diels-Alder Reaction of Polycyclic Arom atic Hydrocarbons
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Experimental reaction rates of the benzogenic Diels- Alder reaction of polycyclic aromatic hydrocarbons with maleic anhydride are correlated with the corresponding bislocalization energies calculated by the PMO method. The observed relations between the localization energies of the reacting centres and the topology of the hydrocarbons can be qualitatively understood on the basis of Clar’s π-sextet model of polycyclic systems and Polansky’s pars orbital method.
1950 ◽
Vol 0
(0)
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pp. 691-697
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1959 ◽
Vol 55
(0)
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pp. 702-706
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1951 ◽
Vol 0
(0)
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pp. 1612-1614
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2002 ◽
Vol 57
(6)
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pp. 637-644
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2003 ◽
Vol 107
(43)
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pp. 9249-9249
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