IB Chemistry R3.4 R3.4.2
R3.4.2 HL

Nucleophilic Substitution

Key Definitions

  • Nucleophile. An electron-pair donor that attacks a δ+ or positive carbon centre. It has a lone pair or negative charge. E.g. OH⁻, CN⁻, NH₃, H₂O
  • Electrophile. An electron-pair acceptor that attacks regions of high electron density. E.g. H⁺, NO₂⁺, Br₂ (polarised)
  • Leaving group. Departs with the bonding pair. Good leaving groups are stable anions (weak bases): I⁻ > Br⁻ > Cl⁻ > F⁻
  • Curly arrow. Shows the movement of an electron pair from nucleophile to electrophilic carbon (full, double-barbed arrow)
  • Substrate. The organic molecule being attacked (the halogenoalkane)

The SN2 Mechanism

Stereospecific SN2 Reaction

Diagram: SN2 Mechanism HO⁻ C Br H H CH₃ Backside attack C HO δ− Br δ− H H CH₃ Planar Transition State HO C H CH₃ H + Br⁻ Inverted Product

One step. Concerted

  1. The nucleophile attacks the δ+ carbon from the opposite side to the leaving group (backside attack)
  2. The C−X bond breaks at the same time as the new bond forms. No intermediate
  3. The leaving group departs with the bonding pair

Stereochemistry: Walden inversion. The configuration at the carbon is inverted (like an umbrella flipping inside out)

Rate law: Rate = k[RX][Nu⁻]. bimolecular, both substrate and nucleophile in the rate-determining step

The SN1 Mechanism

Two steps. Via carbocation intermediate

Step 1 (slow. Rate-determining):

The C−X bond breaks heterolytically → planar carbocation formed + leaving group (X⁻)

Step 2 (fast):

The nucleophile attacks the carbocation from either side → product formed

Stereochemistry: Racemic mixture. Equal amounts of both enantiomers (because nucleophile attacks equally from both sides of the planar carbocation)

Rate law: Rate = k[RX]. unimolecular, only substrate in the rate-determining step

SN1 vs SN2 Comparison

SN1 SN2
Number of steps 2 (carbocation intermediate) 1 (concerted)
Rate law Rate = k[RX] Rate = k[RX][Nu⁻]
Substrate Tertiary halogenoalkanes Primary halogenoalkanes
Stereochemistry Racemic mixture Inversion (Walden inversion)
Nucleophile strength Weak nucleophile (e.g. H₂O) Strong nucleophile (e.g. OH⁻)
Solvent Polar protic (stabilises ions) Polar aprotic
Energy profile Two energy barriers (2 transition states) One energy barrier (1 transition state)

Why Does Substrate Type Matter?

Tertiary → SN1

Three bulky alkyl groups create steric hindrance. The nucleophile cannot easily attack. Instead, the leaving group departs first to form a stabilised tertiary carbocation (alkyl groups donate electron density via inductive effect).

Primary → SN2

Minimal steric hindrance. The nucleophile can easily approach the δ+ carbon from behind. A primary carbocation would be too unstable to form, so SN1 is not feasible.

Secondary substrates can undergo both SN1 and SN2, depending on other factors (nucleophile strength, solvent).

Common Nucleophiles

Nucleophile Formula Product formed
Hydroxide ionOH⁻Alcohol
Cyanide ionCN⁻Nitrile (extends C chain by 1)
AmmoniaNH₃Amine
WaterH₂OAlcohol (weak nucleophile → SN1)

⚠️ Elimination as a Competing Reaction

Halogenoalkanes can also undergo elimination (E1/E2) instead of substitution. Elimination is favoured by:

  • Strong bases (e.g. Ethanolic NaOH or KOH)
  • Heat
  • Tertiary substrates

Substitution favoured by: aqueous conditions, weaker/less bulky nucleophiles, primary substrates

Think About It

Why do tertiary halogenoalkanes favour SN1 rather than SN2?

Three bulky alkyl groups around the carbon create steric hindrance. The nucleophile cannot easily attack from behind. Instead, the leaving group departs first to form a stabilised tertiary carbocation, then the nucleophile attacks the planar carbocation.

⚠️ Common Exam Mistakes

  • Confusing SN1 (2 steps, unimolecular) with SN2 (1 step, bimolecular). The numbers refer to the molecularity of the rate-determining step, not the number of steps!
  • Forgetting that SN1 gives a racemic mixture (not a single enantiomer)
  • Not drawing curly arrows from the nucleophile → not showing where the electrons come from
  • Forgetting to show the leaving group departing with the bonding pair
← R3.4.1 Free RadicalR3.4.3 Electrophilic Add. →