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Hydrocarbon σ-radical cations

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Abstract

The structure and transformations of radical cations derived from saturated hydrocarbons in the gas phase and solution may be, in most cases, predicted with high-level computational methods. The review covers so-called sigma-radical cations, i.e., the species with partially broken C[BOND]H and C[BOND]C bonds. The radical cations formed from the small acyclic (methane, ethanes, and butanes), as well as cyclic (cyclopropane, cyclobutane, and rotanes) and polycyclic hydrocarbons were analyzed. © 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 661–679 DOI: 10.1002/wcms.24

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