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## Abstract The gas‐phase base‐induced bimolecular elimination (E2) reactions at saturated carbon with 13 bases, B^−^ + CH~3~CH~2~Cl → BH + CH~2~CH~2~ + Cl^−^ (B = HO, CH~3~O, CH~3~CH~2~O, FCH~2~CH~2~O, ClCH~2~CH~2~O, Cl, Br, FO, ClO, BrO, HOO, HSO, and H~2~NO), were investigated with the high‐level G2(+) theory. It was found that all α‐bases with adjacent lone pair electrons examined exhibited downward deviations from the correlation line between the overall barriers and proton affinities for the normal bases without adjacent lone pair electrons, indicating the existence of the α‐effect in the gas phase E2 reactions. The sizes of the α‐effect for the E2 reaction, Δ__H__~α~(E2), span a smaller range if the α‐atoms are on the same column in the periodic table, in contrast to the corresponding S~N~2 reactions, where the Δ__H__~α~(S~N~2) values significantly decrease from an upper to a lower column. The origin of the α‐effects in E2 reactions can be interpreted by the favorable orbital interaction between the lone‐pair electrons and positively charged anti‐bonding orbital. It is worth noticing that the neighboring electron‐rich π lobe instead of lone pair electrons could also cause t

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Author

Yi Ren; Hiroshi Yamataka

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)

Published

2008

Language

EN

Field

Chemistry (Physical Sciences)