High-Level Systematic ab Initio Comparison of Carbon- and Silicon-Centered SN2 Reactions
Attila Á. Dékány, Gyula Z. Kovács, and Gábor Czakó*
MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary
* E-mail: gczako@chem.u-szeged.hu
4
SiH3-
Si    -0.0000520774     0.0780563560     0.0000040497
H     -0.6845397541    -0.7252642140    -1.1188578297
H      1.3116655677    -0.7244008499    -0.0340323320
H     -0.6256747144    -0.7253173611     1.1527773188