HomeChemistry & MaterialsMolecular Fingerprinting

3D Molecular Bond Vibration Matcher

A 3D ball-and-stick view of IR/Raman fingerprint matching: watch a reference molecule's bonds vibrate at their real characteristic wavenumbers and see which library compound best explains an unknown pollution sample's bond mix.

Chemistry & Materials3DEasy60 FPS📱 Mobile-adapted⇄ 2D version
3d-ufo-molecules-pollution ↗ Open standalone

An IR or Raman spectrum is really just a report of how fast each bond in a molecule is vibrating — but the spectrum itself is a flat chart, one step removed from the physical structure doing the vibrating. This 3D companion closes that gap: it renders the actual ball-and-stick geometry of whichever reference compound best matches your unknown sample's bond mix, and animates every bond oscillating along its own axis at a speed scaled from its real characteristic wavenumber, so O–H bonds visibly flicker fastest and S=O bonds slowest. Adjust the same six bond-fraction sliders used for spectral matching and watch both the identified molecule and its vibration pattern update together, turning an abstract cosine-similarity score into a structure you can see move.

⚙ Under the hood

Compare an interactive 3D molecule model with bonds vibrating at characteristic frequencies to reference geometries.

spectroscopymoleculespollution

3D · Three.js / WebGL renderer · 60 FPS target · runs fully client-side, no install

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