Jump to main content
Jump to site search

Issue 27, 2017
Previous Article Next Article

Radical cations of phenyl silatrane

Author affiliations

Abstract

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

Back to tab navigation

Publication details

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
  •   Request permissions

    Radical cations of phenyl silatrane

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

Search articles by author

Spotlight

Advertisements