return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for PBr (Phosphorus monobromide)

22 02 02 11 45
Other names
InChI=1S/BrP/c1-2 [P]Br
State Conformation
3Σ 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 162.60   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 249.20   J K-1 mol-1 webbook
Heat Capacity (298.15K) heat capacity 35.36   J K-1 mol-1 webbook
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   458 1979Col:1051       79Br

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
458.35 1.6 0.16067 0.00069 1979Col:1051

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for PBr (Phosphorus monobromide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.16067   1979Col:1051 79Br

Calculated rotational constants for PBr (Phosphorus monobromide).
Product of moments of inertia moments of inertia
104.9208amu Å2   1.742279E-38gm cm2
Geometric Data
picture of Phosphorus monobromide

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
rPBr 2.171   1 2 1979Col:1051

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.0000
Br2 0.0000 0.0000  

Atom - Atom Distances bond lengths
Distances in Å An error occurred on the server when processing the URL. Please contact the system administrator.

If you are the system administrator please click here to find out more about this error.

  P1 Br2