Simple Molecules

Summary: Simple molecules are small, discrete groups of atoms held together internally by strong covalent bonds, existing as separate units with only weak intermolecular forces between them — in contrast to giant structures where bonding extends continuously throughout. Tags: igcse chemistry bonding molecules structures Created: 2026-07-18


A simple molecule is a small, discrete group of a fixed number of atoms held together by covalent bonds. The atoms within the molecule are joined by strong shared-electron attractions, but the molecules themselves exist as separate, independent units with only weak intermolecular forces (van der Waals’ forces) attracting one molecule to another. Common examples include the diatomic elements H2, O2, N2, Cl2, and compounds such as H2O, CO2, CH4, NH3, and HCl. Simple molecules are fundamentally different from giant structures (ionic, covalent, or metallic), where bonding extends continuously in all directions and the entire crystal is essentially one enormous bonded network rather than a collection of individual units. The term “simple molecular” describes the structure type; the resulting substances are discussed in detail under Simple Molecular Compounds.


What Defines a Simple Molecule?

A simple molecule has three defining characteristics:

  1. Fixed number of atoms per unit: Each molecule has a definite atomic composition (e.g., H2O always has 2 H and 1 O). The Molecule is the smallest unit of the substance that retains its chemical properties.

  2. Strong covalent bonds within the molecule: The atoms are held together by shared electron pairs. These intramolecular bonds require substantial energy to break (typically 150—800 kJ/mol).

  3. Weak intermolecular forces between molecules: Once formed, each molecule interacts only weakly with neighbouring molecules. These are van der Waals’ (London dispersion) forces, or in some cases hydrogen bonds (as in H2O, NH3). These intermolecular forces are typically 1—40 kJ/mol — orders of magnitude weaker than covalent bonds.

Common Simple Molecules at IGCSE

SubstanceFormulaAtoms per MoleculeBonding WithinState at RT
HydrogenH22 HSingle covalent bond (H—H)Gas
OxygenO22 ODouble covalent bond (O=O)Gas
NitrogenN22 NTriple covalent bond (N≡N)Gas
ChlorineCl22 ClSingle covalent bond (Cl—Cl)Gas
WaterH2O2 H, 1 OTwo O—H single bonds + 2 lone pairs on OLiquid
Carbon dioxideCO21 C, 2 OTwo C=O double bondsGas
MethaneCH41 C, 4 HFour C—H single bondsGas
AmmoniaNH31 N, 3 HThree N—H single bonds + 1 lone pair on NGas
Hydrogen chlorideHCl1 H, 1 ClOne H—Cl single bondGas

All of these substances exist as individual molecules with the formula accurately representing one discrete unit. This is in contrast to giant structures where the formula (e.g., NaCl, SiO2) represents only the ratio of atoms or ions in the lattice.

Simple Molecules vs Giant Structures

The table below contrasts simple molecular substances with the three types of giant structures:

FeatureSimple MolecularGiant IonicGiant CovalentGiant Metallic
Structural unitIndividual moleculesIons in a latticeAtoms in a networkPositive ions in electron sea
Bonding within unitStrong covalent bondsStrong ionic bonds (electrostatic)Strong covalent bondsStrong metallic bonding
Bonding between unitsWeak intermolecular forcesSame bonding is continuousSame bonding is continuousSame bonding is continuous
Formula meaningExact composition of one moleculeSimplest ratio of ionsSimplest ratio of atomsElement symbol only
Typical mp/bpLowHighVery highHigh (varies)
State at RTOften gas or liquidSolidSolidSolid (except Hg)

The key conceptual distinction: in simple molecular substances, the forces that must be overcome during melting or boiling are the weak intermolecular forces, not the strong covalent bonds. The molecules remain intact as separate units; they are merely separated from each other. By contrast, melting a giant structure requires breaking the strong bonds that extend throughout the lattice.

Within the Molecule: Covalent Bonds

The covalent bonds inside a simple molecule follow the same principles described in Covalent Bond:

  • Atoms share electrons to achieve noble gas electronic configurations.
  • Each atom in the molecule (except H) is surrounded by 8 outer electrons counting both shared and lone pairs.
  • Hydrogen follows the duplet rule (2 electrons).
  • The molecular shape is determined by the number of bonding pairs and lone pairs around the central atom (VSEPR theory).

For example, in a water molecule (H2O), oxygen shares one electron pair with each hydrogen (two single bonds) and retains two lone pairs. The O—H bonds are strong covalent bonds. The molecule is bent (V-shaped) due to the repulsion between the two lone pairs and the two bonding pairs.

Between the Molecules: Intermolecular Forces

Between separate simple molecules, only weak intermolecular forces act. These include:

  • London dispersion forces (instantaneous dipole-induced dipole): present between all molecules. Strength increases with molecular size (more electrons = stronger forces).
  • Permanent dipole-dipole forces: present when molecules are polar (e.g., HCl, where Cl is more electronegative than H).
  • Hydrogen bonds: a particularly strong type of intermolecular force that occurs when H is bonded to N, O, or F (e.g., in H2O, NH3).

These forces are responsible for the physical properties of simple molecular substances — see Simple Molecular Compounds for a detailed discussion of melting points, boiling points, and electrical conductivity.


Sources


Common Misconceptions

MisconceptionReality
”Water molecules break apart when water boils”When water boils, only the intermolecular forces (hydrogen bonds) between H2O molecules are overcome. The O—H covalent bonds within each molecule stay intact. The steam is still H2O.
”Simple molecules are the only type of molecule”The term “simple molecule” distinguishes discrete small-molecule substances from giant covalent structures (diamond, graphite, SiO2), which are essentially one enormous molecule.
”All covalent substances have low melting points”Only simple molecular substances have low melting points. Giant covalent substances (diamond, graphite, SiO2) have very high melting points because covalent bonds must be broken throughout the lattice.
”Bigger molecules always have higher melting points”Generally true within a homologous series due to stronger London dispersion forces, but molecular polarity and hydrogen bonding can cause significant deviations from this trend.
”CO2 and SiO2 have similar properties because they have similar formulas”CO2 is simple molecular (gas at RT, low sublimation point at -78 degrees C). SiO2 is a giant covalent lattice (solid at RT, mp ~1710 degrees C). Their structures are fundamentally different despite the similar formula.