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Experimental data for PO (Phosphorus monoxide)

22 02 02 11 45
Other names
Phosphorus oxide;
INChI INChIKey SMILES IUPAC name
InChI=1S/OP/c1-2 LFGREXWGYUGZLY-UHFFFAOYSA-N [P]=O
State Conformation
2Π C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -27.85 3.20 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -27.54 3.20 kJ mol-1 Gurvich
Entropy (298.15K) entropy 222.74   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.39   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 31.76   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 1220 1233 1979HUB/HER      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1233.34 6.56 0.7332237 5.466162E-03 615.1402 2007Iri:389

vibrational zero-point energy: 610.1 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for PO (Phosphorus monoxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/PO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.73370   1979HUB/HER

Calculated rotational constants for PO (Phosphorus monoxide).
Product of moments of inertia moments of inertia
22.97619amu Å2   3.815346E-39gm cm2
Geometric Data
picture of Phosphorus monoxide

Point Group C∞v


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rPO 1.476   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
P2 0.0000 0.0000 1.4759

Atom - Atom Distances bond lengths
Distances in Å
  O1 P2
O1   1.4759
P2 1.4759  

Calculated geometries for PO (Phosphorus monoxide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=P 1

Connectivity
Atom 1 Atom 2
O1 P2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
224.03 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
8.390 0.010     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.092 0.010 2002Rie/Tsc:231

Proton Affinity (kJ mol-1)
Proton Affinity unc. Product reference comment
682.0   HPO+ webbook  
Dipole, Quadrupole and Polarizability
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State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole