Title of article
Chemical shift tensors for the aromatic carbons in polystyrene
Author/Authors
Colhoun، نويسنده , , F.L and Armstrong، نويسنده , , R.C and Rutledge، نويسنده , , G.C، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2002
Pages
6
From page
609
To page
614
Abstract
Chemical shift tensors (CST) for the protonated aromatic carbons in polystyrene are presented. Experimental difficulties preclude the direct measurement of these tensors. The values reported are obtained from quantum chemical calculations on 2-phenyl propane using the 6-31G basis set, after testing other basis sets against similar compounds for which the chemical shift anisotropies are known. Corrections for narrowing of the chemical shift anisotropy due to the molecular motions at finite temperatures are also reported.
Keywords
polystyrene , Chemical shift tensors , Quantum chemical modeling
Journal title
Polymer
Serial Year
2002
Journal title
Polymer
Record number
1716378
Link To Document