Abstract:
The chemical shifts of methyl cation and anion have been calculated. The tensor components about the out-of-plane p orbitals were essentially the same, but the components about the in-plane axes differed by over 700 ppm. The experimental chemical shifts of benzene and the aromatic ions fall on the line connecting the shifts and charges of the methyl ions. These data are correlated by a simple model, that also accounts for the large downfield shifts found with carbenes. No direct connection between charge and chemical shift was found. Copyright (C) 1996 Elsevier Science Ltd

Addresses:
Wiberg KB, YALE UNIV, DEPT CHEM, 225 PROSPECT ST, NEW HAVEN, CT 06520.

Publisher:
PERGAMON-ELSEVIER SCIENCE LTD, OXFORD

IDS Number:
WC807

ISSN:
0040-4039