Title of article :
On the qualitative theoretical NMR chemical shifts of model carbyne catenanes and knots
Author/Authors :
Dobrowolski، نويسنده , , Jan Cz. and Mazurek، نويسنده , , Aleksander P.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Pages :
7
From page :
60
To page :
66
Abstract :
The qualitative 13C NMR chemical shift (δ) calculated for carbyne: cycles (C10,C20,…,C60), catenanes (C10C30 and C20C30), knots (C30 and C60 trefoil, and C40 and C64 figure-8), have shown δ to tend to alternate along the catenane or a knot branch and to follow neither the change in the partial charge nor the change in the angles. The δ alternation is associated with the repulsion between catenane components or knot branches which polarizes the π electrons so that the atoms of each CC bond are differentiated to one closer to and one other further from the perturbation.
Journal title :
Chemical Physics Letters
Serial Year :
2001
Journal title :
Chemical Physics Letters
Record number :
1778256
Link To Document :
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