Title of article
The ring-current model of the paratropic pentalene molecule
Author/Authors
Cuesta، نويسنده , , I. Garc??a and Ligabue، نويسنده , , A. and de Mer?s، نويسنده , , A. S?nchez and Lazzeretti، نويسنده , , P.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
6
From page
282
To page
287
Abstract
The ring-current model for the pentalene molecule has been constructed by ab initio techniques. The current density vector field has been used to obtain magnetic shielding density maps for the different protons. It is shown that the paramagnetic flow of the π electrons causes an increase of the out-plane component of proton shielding tensors, that is overall shielding. Distant portions of the π flow also shield carbon nuclei.
Journal title
Chemical Physics Letters
Serial Year
2005
Journal title
Chemical Physics Letters
Record number
1913888
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