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Crystal structure determination of the nonclassical 2-norbornyl cation

Scholz F, Himmel D, Heinemann FW, Schleyer PVR, Meyer K, Krossing I (2013)

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Publication Type: Journal article, Original article

Publication year: 2013

Journal

Original Authors: Scholz F., Himmel D., Heinemann F.W., V R Schleyer P., Meyer K., Krossing I.

Publisher: American Association for the Advancement of Science

Book Volume: 341

Pages Range: 62-64

Journal Issue: 6141

DOI: 10.1126/science.1238849

Abstract

After decades of vituperative debate over the classical or nonclassical structure of the 2-norbornyl cation, the long-sought x-ray crystallographic proof of the bridged, nonclassical geometry of this prototype carbonium ion in the solvated [CH][AlBr ]·CHBr salt has finally been realized. This achievement required exceptional treatment. Crystals obtained by reacting norbornyl bromide with aluminum tribromide in CH Br undergo a reversible order-disorder phase transition at 86 kelvin due to internal 6,1,2-hydride shifts of the 2-norbornyl cation moiety. Cooling with careful annealing gave a suitably ordered phase. Data collection at 40 kelvin and refinement revealed similar molecular structures of three independent 2-norbornyl cations in the unit cell. All three structures agree very well with quantum chemical calculations at the MP2(FC)/def2-QZVPP level of theory.

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How to cite

APA:

Scholz, F., Himmel, D., Heinemann, F.W., Schleyer, P.V.R., Meyer, K., & Krossing, I. (2013). Crystal structure determination of the nonclassical 2-norbornyl cation. Science, 341(6141), 62-64. https://dx.doi.org/10.1126/science.1238849

MLA:

Scholz, F., et al. "Crystal structure determination of the nonclassical 2-norbornyl cation." Science 341.6141 (2013): 62-64.

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