Title of article
On the aromaticity of tetrathiafulvalene cations
Author/Authors
Nielsen، نويسنده , , Mogens Brّndsted and Sauer، نويسنده , , Stephan P.A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
4
From page
136
To page
139
Abstract
The gain of aromaticity upon oxidation of tetrathiafulvalene (TTF) is investigated based on magnetic and energetic criteria. Thus, Nucleus Independent Chemical Shift (NICS) indices are calculated for a selection of TTF derivatives, including the protonated TTF, and compared to proton chemical shifts measured experimentally. The aromatic stabilization energy of the TTF dication, represented by the isomerization stabilization energy, is also calculated and compared to that of 1,3-dithiolium.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1923590
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