HomeChemistry & MaterialsHückel Molecular Orbitals & the Frost Circle (2D)

Hückel Molecular Orbitals & the Frost Circle (2D)

2D Hückel molecular-orbital simulator for cyclic π-conjugated rings (C3–C8): builds and diagonalizes the real Hückel Hamiltonian matrix (Jacobi eigenvalue algorithm), draws the classic Frost circle with correctly grouped degenerate levels, fills orbitals by the Aufbau principle with Hund's rule, and tests the 4n+2 aromaticity rule.

Chemistry & Materials2DAdvanced60 FPS📱 Mobile-adapted⇄ 3D version
2d-quantum-chemistry ↗ Open standalone

This 2D companion to the 3D Hückel simulator builds the same physics from scratch with an independent, general-purpose method: it assembles the N×N Hückel Hamiltonian matrix for a cyclic π-conjugated ring of 3 to 8 carbons and diagonalizes it with a Jacobi eigenvalue algorithm running live in the browser, rather than relying only on the closed-form cyclic solution. The Frost circle panel places each computed energy level on a circle of radius 2|β|, groups degenerate orbitals side by side, and fills them by the Aufbau principle with Hund's rule for degenerate pairs, so aromaticity or antiaromaticity falls out of the actual computed electron configuration for whatever ring size and charge you pick — never a hardcoded per-molecule answer. The ring panel renders the real eigenvector coefficients as coloured, sized lobes so you can watch node count grow with orbital energy exactly as the diagonalization computes it.

⚙ Under the hood

2D Hückel molecular-orbital simulator for cyclic π-conjugated rings (C3–C8): builds the real N×N Hückel Hamiltonian and diagonalizes it in-browser with a Jacobi eigenvalue algorithm, draws the classic Frost circle with correctly grouped degenerate levels filled by Aufbau + Hund's rule, and tests the 4n+2 aromaticity rule.

quantum-chemistrymolecular-orbitalsaromaticityhuckel-theoryconjugationeigenvaluesfrost-circle

2D · HTML5 Canvas 2D · 60 FPS target · runs fully client-side, no install

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