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Issue 27, 2017
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Radical cations of phenyl silatrane

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Electrochemical oxidation of phenylsilatrane (1) in CH3CN/0.1 M Bu4NPF6 has been studied by voltammetry, UV-Vis and EPR-coupled spectroelectrochemistry supported by DFT calculations. One-electron withdrawal from the HOMO of 1, formed with a predominant contribution of the atrane N atom to the 3c–4e system, results in a short lived radical cation, in which the atrane nitrogen atom is almost planar and carries most of the spin density showing strong coupling with the protons of the axially directed C–H bonds of the three adjacent α-methylene groups (g = 2.0037, aαHax = 37.93 G, aαHlat = 0.23 G and aβH = 1.8 G). EPR spectroscopy and DFT calculations attest that the unpaired electron in the radical cation does not reside at the Si atom.

Graphical abstract: Radical cations of phenyl silatrane

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The article was received on 05 Feb 2017, accepted on 06 Apr 2017 and first published on 06 Apr 2017

Article type: Paper
DOI: 10.1039/C7DT00447H
Citation: Dalton Trans., 2017,46, 8849-8854
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    Radical cations of phenyl silatrane

    V. Romanovs, V. Sidorkin, E. Belogolova and V. Jouikov, Dalton Trans., 2017, 46, 8849
    DOI: 10.1039/C7DT00447H

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