Cover Image
QR Code

Origin of the S2 Benzylic Effect.

The S2 identity exchange reactions of the fluoride ion with benzyl fluoride and 10 para-substituted derivatives (RCHCHF, R = CH, OH, OCH, NH, F, Cl, CCH, CN, COF, and NO) have been investigated by both rigorous ab initio methods and carefully calibrated density functional theory. Groundbreaking foca...

Full description

Published in:Journal of the American Chemical Society Vol. 130; no. 30; pp. 9887 - 9897
Main Authors: Galabov, Boris, Nikolova, Valia, Wiike, Jeremiah J., Schaefer III, Henry F., Allen, Wesley D.
Format: Article
Published: American Chemical Society 7/30/2008
Subjects:
Fluorides
Density functionals
Electronic structure
Electrostatics
Chemical decomposition
Online Access:View this record in EBSCOhost

Internet

View this record in EBSCOhost