Phosphine (PH3)

Pyramidal pnictogen hydride; smaller H–P–H angles versus ammonia emphasize s/p ratio and orbital exposure. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Trigonal pyramidal
Polarity
Polar
Bond angle
93.5°
Hybridisation
sp3-like
VSEPR
AX3E
Bonds
3 σ bonds · lone pair
Molecular orbitals
8 valence MOs; diffuse 3p character on P.
SMILES
[PH3]

Electron density: spin-paired GPAW (PBE) on an isolated gas-phase geometry; molecular orbitals: restricted mean-field RHF with sto-3g in PySCF unless noted.

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