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Direct SN2 rebound survives bulky alkyl iodides

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Even with extra methyl groups on the alkyl iodide, Cl− and CN− still show a direct backward SN2 rebound channel at high collision energy rather than fully statistical dynamics.

Source

Conservation of direct dynamics in sterically hindered S<sub>N</sub>2/E2 reactions

Carrascosa E, Meyer J, Michaelsen T, et al. · Chemical science · 2018

doi.org/10.1039/c7sc04415aRead the full paper ↗34 citationscc by

What they did

The authors crossed mass-selected Cl− or CN− with CH3I, CH3CH2I or (CH3)2CHI beams and recorded I− product velocity-map images at relative collision energies of 0.4, 1.1 and 1.9 eV, comparing angular/energy partitioning with computed SN2 and E2 barriers.

What they found

Direct backward SN2 opens at higher energy as methylation increases, yet at 1.9 eV more than half of Cl−/CN− + CH3CH2I events are direct rebound; energy into product internals stays below 60%. Direct SN2 outcompetes E2 above 1 eV.

The limits

What it doesn't show

These are isolated gas-phase ion–molecule collisions, not condensed-phase SN2 rates or stereochemical inversion yields in solution.

Key terms

Direct rebound SN2
Collinear backside attack that scatters the leaving-group ion backward in the center-of-mass frame.
E2
Bimolecular base-induced elimination competing with substitution on ethyl/isopropyl iodides.
Velocity-map imaging
Ion-imaging method that maps product speed and scattering angle in a single image.
E_rel
Relative collision energy of the ion–molecule pair in the center-of-mass frame.
Walden inversion
Stereochemical inversion associated with backside SN2 attack.

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The imaged leaving-group product is:

Common questions

Which product ion was imaged?

I− leaving-group ions.

At what E_rel is direct SN2 favoured over E2?

Above 1 eV.

Do methylated systems rebound at 0.4 eV?

No—Cl− and CN− with methylated alkyl iodides show no direct rebound at 0.4 eV.

What fraction of Cl− + CH3CH2I at 1.9 eV is direct rebound?

More than half of the reactive collisions.

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