Catalysis of the Quadricyclane to Norbornadiene Rearrangement by SnCl2 and CuSO4

Shubina TE, Clark T (2010)


Publication Status: Published

Publication Type: Journal article

Publication year: 2010

Journal

Publisher: Verlag der Zeitschrift Fuer Naturforschung

Book Volume: 65

Pages Range: 347-356

Journal Issue: 3

DOI: 10.1515/znb-2010-0319

Abstract

Ab anti and density-functional theory (DFT) calculations have been used to investigate the model rearrangements of quadricyclane to norbornadiene catalysed by single CuSO4 and SnCl2 molecules. The isolated reactions with the two molecular catalysts proceed via electron-transfer catalysis in which the hydrocarbon is oxidised, in contrast to systems investigated previously in which the substrate was reduced. The even-electron SnCl2-catalysed reaction shows singlet-triplet two-state reactivity. Solvation by a single methanol molecule changes the mechanism of the rearrangement to a classical Lewis acid-base process.

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How to cite

APA:

Shubina, T.E., & Clark, T. (2010). Catalysis of the Quadricyclane to Norbornadiene Rearrangement by SnCl2 and CuSO4. Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences, 65(3), 347-356. https://dx.doi.org/10.1515/znb-2010-0319

MLA:

Shubina, Tatyana E., and Timothy Clark. "Catalysis of the Quadricyclane to Norbornadiene Rearrangement by SnCl2 and CuSO4." Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences 65.3 (2010): 347-356.

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