IB Chemistry R3.4 R3.4.13
R3.4.13 HL

Electrophilic Substitution of Benzene

Key Concept

Benzene undergoes electrophilic substitution, not addition. The delocalised π system is so stable that benzene preserves its aromatic ring by replacing a hydrogen atom with the electrophile, rather than breaking the ring's delocalisation.

Why Substitution, Not Addition?

Benzene has a delocalised ring of π electrons above and below the plane. This makes it electron-rich and susceptible to electrophilic attack. However, if addition occurred, the delocalised system would be destroyed. Substitution allows benzene to retain its aromatic stability.

Substitution (what happens)

One H is replaced by the electrophile. The delocalised ring is preserved. Energetically favourable.

Addition (does not happen)

Would break the delocalised π system. Loss of resonance/aromatic stabilisation energy (~150 kJ mol⁻¹). Energetically unfavourable.

Role of Lewis Acid Catalysts

Many electrophiles (e.g. Br₂, Cl₂) are not reactive enough to attack benzene's stable ring on their own. A Lewis acid catalyst (also called a halogen carrier) is needed to generate a stronger electrophile.

How the Catalyst Works

The Lewis acid accepts a lone pair from one of the halogen atoms, polarising the halogen molecule and generating a powerful electrophile.

Br₂ + AlBr₃ → Br⁺ + AlBr₄⁻

AlBr₃ accepts a lone pair from Br (Lewis acid-base reaction)

Common Catalysts

Reaction Lewis acid catalyst Electrophile generated
BrominationAlBr₃ or FeBr₃Br⁺ (or highly polarised Br₂)
ChlorinationAlCl₃ or FeCl₃Cl⁺ (or highly polarised Cl₂)
NitrationConc. H₂SO₄ (catalyst)NO₂⁺ (nitronium ion)

Mechanism: Bromination of Benzene

Electrophilic Substitution: Bromination of Benzene Electrophilic Substitution of Benzene H Br⁺ Step 1 H Br + σ complex (arenium ion) Aromaticity lost temporarily Step 2 Lose H⁺ to restore ring Br + H⁺ Bromobenzene Aromaticity restored Overall: C₆H₆ + Br₂ → C₆H₅Br + HBr (catalyst: AlBr₃) The catalyst is regenerated: AlBr₄⁻ + H⁺ → AlBr₃ + HBr

Mechanism Summary

Step 1:

The delocalised π ring electrons attack the electrophile (Br⁺). A C-Br bond forms. The intermediate is a positively charged sigma (σ) complex (arenium ion) with a disrupted aromatic system.

Step 2:

A base (often AlBr₄⁻) removes H⁺ from the carbon bearing the Br. The electron pair from the C-H bond returns to the ring, restoring aromaticity.

Nitration of Benzene

Generating the Electrophile

Nitrating mixture: concentrated HNO₃ + concentrated H₂SO₄

HNO₃ + H₂SO₄ → NO₂⁺ + HSO₄⁻ + H₂O

The nitronium ion (NO₂⁺) is the electrophile that attacks the ring.

Overall: C₆H₆ + HNO₃ → C₆H₅NO₂ + H₂O (at 50°C)

Think About It

AlCl₃ is described as both a Lewis acid and a "halogen carrier" catalyst. How do both descriptions fit?

AlCl₃ is a Lewis acid because it accepts an electron pair from Cl₂ (Al has an incomplete octet). This generates the Cl⁺ electrophile. It is a catalyst because it is regenerated at the end of the reaction when AlCl₄⁻ reacts with H⁺ to reform AlCl₃ + HCl. The same molecule performs both roles.

Common Exam Mistakes

  • Saying benzene undergoes "addition". It undergoes substitution to preserve aromaticity.
  • Forgetting the role of the Lewis acid catalyst. Without it, the electrophile is not reactive enough.
  • Not drawing the curly arrow from the ring to the electrophile. The delocalised electrons are the nucleophile.
  • Forgetting to show H⁺ being lost in step 2 to restore the ring.
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