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Experimental data for PN (Phosphorus mononitride)

22 02 02 11 45
Other names
Phosphorous nitride; Phosphorus nitride;
INChI INChIKey SMILES IUPAC name
InChI=1S/NP/c1-2 AOPJVJYWEDDOBI-UHFFFAOYSA-N P#N
State Conformation
1Σ 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 171.49 15.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 172.48 15.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 211.13   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.70   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 29.69   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 1323 1337 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1336.948 6.8958 -0.00605 0.7864844 0.0055337 666.7872 2007Iri:389

vibrational zero-point energy: 661.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for PN (Phosphorus mononitride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/PN.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.78648   2007Iri:389

Calculated rotational constants for PN (Phosphorus mononitride).
Product of moments of inertia moments of inertia
21.43416amu Å2   3.559281E-39gm cm2
Geometric Data
picture of Phosphorus mononitride

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
rPN 1.491   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 1.4909
P2 0.0000 0.0000 0.0000

Atom - Atom Distances bond lengths
Distances in Å
  N1 P2
N1   1.4909
P2 1.4909  

Calculated geometries for PN (Phosphorus mononitride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
N1 P2
Electronic energy levels (cm-1) An error occurred on the server when processing the URL. Please contact the system administrator.

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