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
2
HF
H     0.0000000000     0.0000000000    -0.8713729581
F     0.0000000000     0.0000000000     0.0462297625
2
HCl
H      0.0000000000     0.0000000000    -1.2414625727
Cl     0.0000000000     0.0000000000     0.0352951735
2
HBr
H      0.0000000000     0.0000000000    -1.4017183090
Br     0.0000000000     0.0000000000     0.0176818176
2
HI
H     0.0000000000     0.0000000000    -1.6036869021
I     0.0000000000     0.0000000000     0.0127372056