| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9582592 | Chemical Physics Letters | 2005 | 6 Pages |
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 Ï electrons causes an increase of the out-plane component of proton shielding tensors, that is overall shielding. Distant portions of the Ï flow also shield carbon nuclei.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
I. GarcıÌa Cuesta, A. Ligabue, A. Sánchez de Merás, P. Lazzeretti,