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How does VSEPR predict the shape of a molecule, and how does that shape relate to hybridization and polarity?

Topic 2.7 VSEPR and Bond Hybridization: use VSEPR theory to predict molecular geometry and bond angles, assign the hybridization of the central atom, and relate geometry to molecular polarity.

A focused answer to AP Chemistry Topic 2.7, covering VSEPR theory, electron-domain geometry, molecular shapes and bond angles, the effect of lone pairs, hybridization of the central atom, and how shape determines molecular polarity, with full worked examples.

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  1. What this topic is asking
  2. VSEPR theory
  3. Geometry and bond angles
  4. Hybridization
  5. Shape determines polarity
  6. Try this

What this topic is asking

The College Board (Topic 2.7) wants you to use VSEPR theory to predict a molecule's shape and bond angles from its Lewis diagram, to assign the hybridization of the central atom, and to use the shape to decide whether the molecule is polar or nonpolar. This topic turns the flat Lewis diagram into a three-dimensional structure with real consequences.

VSEPR theory

So the first job is to count electron domains on the central atom from the Lewis diagram: each single, double or triple bond is one domain, and each lone pair is one domain.

Geometry and bond angles

Lone pairs matter twice. First, they occupy a domain, so a molecule with lone pairs has a different molecular shape from its electron-domain geometry. Second, lone pairs repel more strongly than bonding pairs (they are held by only one nucleus and spread out more), so they squeeze the bonding pairs together and reduce the bond angle below the ideal. This is why water's H-O-H angle is about 104.5∘104.5^\circ rather than 109.5∘109.5^\circ.

Hybridization

The number of electron domains also tells you the hybridization of the central atom, which is the mixing of atomic orbitals that produces the right number of equivalent bonding directions:

  • 2 domains: spsp (linear).
  • 3 domains: sp2sp^2 (trigonal planar).
  • 4 domains: sp3sp^3 (tetrahedral).

Hybridization is a model that makes the orbital picture consistent with the observed geometry. Count the domains, then read off the hybridization directly.

Shape determines polarity

A molecule is polar if it has a net dipole moment, and nonpolar if the individual bond dipoles cancel. Crucially, a molecule can have polar bonds yet be nonpolar overall if its shape is symmetric. Carbon dioxide (O=C=O\text{O}=\text{C}=\text{O}) is linear, so its two equal C=O dipoles point in opposite directions and cancel, making the molecule nonpolar. Water is bent, so its two O-H dipoles do not cancel and the molecule is polar. This is the payoff of the whole unit: the Lewis diagram (Topic 2.5) gives the domains, VSEPR gives the shape, and the shape, combined with bond polarity (Topic 2.1), gives the molecular polarity that controls intermolecular forces, solubility and boiling point in later units. Treating shape and polarity as one connected chain, rather than separate facts, is exactly the reasoning the College Board rewards.

Try this

Q1. Predict the molecular shape and bond angle of BF3\text{BF}_3 (three bonding regions, no lone pairs on boron). [2 points]

  • Cue. Trigonal planar with 120∘120^\circ bond angles.

Q2. State the hybridization of carbon in methane, CH4\text{CH}_4. [1 point]

  • Cue. sp3sp^3 (four electron domains).

Exam-style practice questions

Practice questions written in the style of College Board exam questions on this dot point, with worked answer explainers. The year tag is the paper they imitate, not the source.

AP 2023 (style)4 marksSection II (short FRQ). Consider the water molecule, H2O\text{H}_2\text{O}. (a) State the number of bonding regions and lone pairs on the central oxygen. (b) Predict the electron-domain geometry and the molecular shape. (c) Predict the approximate H-O-H bond angle and explain why it differs from the ideal tetrahedral angle. (d) State the hybridization of oxygen.
Show worked answer β†’

A 4-point FRQ on VSEPR and hybridization.

(a) Regions (1 point): oxygen has two bonding regions (two O-H bonds) and two lone pairs, so four electron domains.
(b) Geometry (1 point): the electron-domain geometry is tetrahedral, but with two lone pairs the molecular shape is bent (angular).
(c) Bond angle (1 point): about 104.5∘104.5^\circ, less than the ideal 109.5∘109.5^\circ, because lone pairs repel more strongly than bonding pairs and push the two O-H bonds closer together.
(d) Hybridization (1 point): four electron domains means sp3sp^3 hybridization.

Markers reward the domain count, distinguishing electron-domain from molecular geometry, a lone-pair explanation of the reduced angle, and the sp3sp^3 assignment.

AP 2021 (style)1 marksSection I (multiple choice). The molecule CO2\text{CO}_2 has polar C=O bonds yet is nonpolar overall. Which best explains this? (A) the bonds are actually nonpolar (B) the molecule is bent so the dipoles add (C) the molecule is linear so the bond dipoles cancel (D) carbon has lone pairs. Justify your choice.
Show worked answer β†’

A 1-point conceptual MCQ. The answer is (C).

CO2\text{CO}_2 has two bonding regions and no lone pairs on carbon, so it is linear (180∘180^\circ). The two C=O bond dipoles are equal and point in exactly opposite directions, so they cancel, leaving no net dipole. The molecule is therefore nonpolar despite having polar bonds, which shows that molecular shape, not just bond polarity, determines overall polarity.

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