Abstract:
The heats of reduction of a series of compounds having C=C, C=O and C=S bonds have been calculated at the G2 theoretical level. The energy changes are related to the electronegativity, charge and pi-donor ability of the substituents, and to the properties of the double bonds. (C) 1997 Elsevier Science Ltd.

KeyWords Plus:
SUBSTITUENT

Addresses:
Wiberg KB, YALE UNIV, DEPT CHEM, NEW HAVEN, CT 06520.
VERTEX PHARMACEUT, CAMBRIDGE, MA 02139.

Publisher:
PERGAMON-ELSEVIER SCIENCE LTD, OXFORD

IDS Number:
XM150

ISSN:
0040-4020