Haloalkanes and Haloarenes: Diagram-Based Questions (1)

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Question

Compare the rates of SN1\text{S}_\text{N}1 reaction for the following: (i) CH3Br\text{CH}_3\text{Br}, (ii) (CH3)2CHBr(\text{CH}_3)_2\text{CHBr}, (iii) (CH3)3CBr(\text{CH}_3)_3\text{CBr}, (iv) C6H5Br\text{C}_6\text{H}_5\text{Br}. Justify your order.

Solution — Step by Step

SN1\text{S}_\text{N}1 is a two-step mechanism: (1) heterolytic cleavage of C-X bond to form a carbocation, (2) attack by nucleophile.

The rate-determining step is carbocation formation. So the rate depends on carbocation stability.

CH3+\text{CH}_3^+ (methyl) — least stable, no hyperconjugation or +I effect.

(CH3)2CH+(\text{CH}_3)_2\text{CH}^+ (secondary) — moderate, two alkyl groups donate.

(CH3)3C+(\text{CH}_3)_3\text{C}^+ (tertiary) — most stable, three alkyl groups donate via +I and hyperconjugation.

Aryl (C6H5+\text{C}_6\text{H}_5^+) — highly unstable; the ++ charge sits on an sp2sp^2 carbon in the ring, can’t be stabilized by ring resonance (resonance only works for +charge next to ring, not on it).

Rate of SN1\text{S}_\text{N}1 ∝ stability of carbocation:

(CH3)3CBr>(CH3)2CHBr>CH3Br>C6H5Br(\text{CH}_3)_3\text{CBr} > (\text{CH}_3)_2\text{CHBr} > \text{CH}_3\text{Br} > \text{C}_6\text{H}_5\text{Br}.

Tertiary halides react ~10510^5 times faster than primary halides under SN1\text{S}_\text{N}1 conditions. Aryl halides are essentially inert under standard SN1\text{S}_\text{N}1 conditions.

Final answer: (iii)>(ii)>(i)>(iv)\text{(iii)} > \text{(ii)} > \text{(i)} > \text{(iv)} — tertiary >> secondary >> methyl \gg aryl.

Why This Works

SN1\text{S}_\text{N}1 rate is governed entirely by step 1 (carbocation formation), and that step is governed by carbocation stability. More alkyl groups = more +I+I donation + hyperconjugation = more stable carbocation = faster reaction.

For aryl halides, two factors block SN1\text{S}_\text{N}1: (1) the aryl carbocation is highly unstable, and (2) the C-X bond has partial double-bond character (lone-pair donation from X into the ring), making it strong.

Alternative Method

Compare leaving-group abilities: all four have Br as the leaving group, so this factor is constant. Only carbocation stability differs.

Common Mistake

Students often say “C6_6H5_5Br undergoes SN1\text{S}_\text{N}1 because the cation is stabilized by the benzene ring’s resonance”. Wrong! Resonance stabilization requires the ++ to be on a pp-orbital perpendicular to the ring’s π\pi-system. In phenyl cation, the ++ is in an sp2sp^2 orbital in the plane of the ring — orthogonal to the π\pi-system. No resonance stabilization. Aryl halides are notoriously sluggish.

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