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Robert Kalescky, Elfi Kraka and Dieter Cremer Are carbon—halogen double and triple bonds possible? International Journal of Quantum Chemistry 114

Version of Record online: 27 FEB 2014 | DOI: 10.1002/qua.24626

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Carbenium ions have an enormous importance in organic synthesis. In this work, it is shown that halogens can establish double bonds to C+ thus changing the carbenium ion reactivity and stability. The nature of the carbon-halogen bond can be quantitatively assessed with the help of the vibrational modes of the target molecule. By converting them into local vibrational modes, the relative bond strength of a carbon-halogen bond is quantified via its local stretching force constant.

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