What the calculator does
For any element from hydrogen to oganesson, or a simple ion of it, the calculator gives:
- the full electron configuration and the noble-gas shorthand;
- the configuration written in filling order;
- an orbital box diagram following Hund’s rule;
- the number of electrons in each shell and the number of unpaired electrons;
- a note when the element is an exception to the Aufbau principle, with the reason.
How to use it
Enter an element by symbol (Fe), name (iron) or atomic number (26). For an ion, add its charge: 2 for Fe²⁺, −1 for Cl⁻.
The rules
The Aufbau principle
Electrons fill subshells in order of increasing energy, which follows the n + l (Madelung) rule: lower n + l first, and for equal n + l, lower n first.
Each subshell holds 2(2l + 1) electrons: 2 in s, 6 in p, 10 in d and 14 in f.
The Pauli principle and Hund’s rule
Each orbital holds at most two electrons, with opposite spins. Within a subshell, electrons occupy separate orbitals with parallel spins before any pair up. That is why nitrogen’s three 2p electrons are all unpaired.
Exceptions
About twenty elements have ground states that differ from the simple prediction. Chromium and copper are the best known: 3d⁵ 4s¹ and 3d¹⁰ 4s¹ instead of 3d⁴ 4s² and 3d⁹ 4s². The calculator uses the measured ground states from the NIST Atomic Spectra Database, so these come out right.
Worked example: iron, Z = 26
- Fill in order. 1s² 2s² 2p⁶ 3s² 3p⁶ 4s² uses 20 electrons; the remaining 6 go into 3d.
- Shorthand. The first 18 electrons match argon, so Fe is [Ar] 3d⁶ 4s².
- Hund’s rule. Six d electrons in five orbitals: one pair and four single electrons, so 4 unpaired electrons.
- The Fe³⁺ ion. Remove the two 4s electrons first, then one 3d electron: [Ar] 3d⁵, with 5 unpaired electrons.
Common mistakes
- Removing 3d electrons before 4s when forming transition-metal cations.
- Pairing electrons too early in an orbital diagram, against Hund’s rule.
- Forgetting the exceptions. Cr, Cu, Mo, Ag and Au are the ones most often tested.
- Miscounting for ions. Subtract electrons for positive ions and add them for negative ions.
Practical applications
- Chemical bonding. The outer electrons determine how an element bonds.
- Magnetism. Unpaired electrons make substances paramagnetic, which is the basis of MRI contrast agents based on gadolinium.
- Colour. Partially filled d subshells give transition-metal compounds their colours.
- Spectroscopy. Each configuration has characteristic energy levels that identify elements in stars and samples.
Assumptions and limitations
Neutral-atom configurations are the measured ground states (NIST) for elements up to Z = 108, and theoretical predictions beyond that. Ion configurations use the standard rule of removing electrons from the outermost shell first. This is right for the main-group and first-row transition-metal ions met in most courses, but the true ground state of some lanthanide and actinide ions differs.