Page 03 · from atoms to molecules
Build simple molecules from atoms and visualize the orbital overlap picture.
Type a recipe such as H*2 + O -> H2O or H*4 + C -> CH4. The page does not solve the Schrödinger equation for the molecule; instead it shows a pedagogical localized-orbital model: which atomic orbitals are mixed on the central atom, what the hybridization picture is, and which overlaps form the main σ bonds.
Supported examples: H*2 + O -> H2O · H*3 + N -> NH3 · H*4 + C -> CH4 · H + F -> HF · H*2 -> H2
MoleculeH₂O
Main pictureO approximately sp³
Geometrybent · 104.5°
Bond count2 σ bonds
For water, the usual localized picture first remixes O 2s and the three O 2p orbitals into four approximately sp³-directed hybrids.
Two overlap with H 1s orbitals to form σ bonds; two remain largely as lone-pair hybrids.
Orange/blue lobes denote opposite signs of the orbital phase. Overlap regions highlight the main qualitative σ-bonding directions.
How to read the page
What is mathematically shown
- an atomic valence basis, such as \{2s,2px,2py,2pz\}
- a localized hybrid-orbital picture on the central atom
- qualitative overlaps with neighbouring atoms, usually H 1s orbitals
What is not claimed
- this is not an ab initio molecular-orbital calculation
- bond angles and occupancies are summarized from the standard textbook picture
- real molecular orbitals are delocalized combinations of all basis functions, not just one orbital overlap cartoon