Water-trapping of unstable carbocations taking place into the inverted region of the Marcus equation. First experimental and computational evidence

The reaction rates of the water-trapping of unstable 1-norbornyl cations in relation to the rates of their rearrangement (ring contraction) have been experimentally determined. The activation barrier of the rearrangement reactions was calculated with the QST2 method, whereas the Marcus theory was ap...

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Veröffentlicht in:	Tetrahedron 2012-04, Vol.68 (13), p.2892-2898
Hauptverfasser:	Martínez, Antonio García, de la Moya Cerero, Santiago, Teso Vilar, Enrique, García Fraile, Amelia
Format:	Artikel
Sprache:	eng
Schlagworte:	1-Norbornyl cations Activation Alicyclic compounds Alicyclic compounds, terpenoids, prostaglandins, steroids Barriers Bonding Cations Chemistry Computation Computational chemistry DFT Exact sciences and technology Gas phases General and physical chemistry Kinetics and mechanisms Marcus theory Mathematical models Organic chemistry Preparations and properties Reactivity and mechanisms Solutions Solvation. Solvent properties Solvent effect Terpenoids Water-trapping
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