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II.A.1. (XV.A.)

Listing of experimental data for NBr (nitrogen monobromide)

Other names
Bromoimidogen;
INChI SMILES IUPAC name
InChI=1S/BrN/c1-2 [N]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 300.76   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 235.45   J K-1 mol-1 webbook
Heat Capacity (298.15K) heat capacity 32.56   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 692 1992Ser/Win:247      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
691.75 4.71 0.444 0.004 1992Ser/Win:247

vibrational zero-point energy: 345.9 cm-1
Calculated vibrational frequencies for NBr (nitrogen monobromide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for NBr (nitrogen monobromide).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of nitrogen 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
NBr 1.765 1 2 1992Ser/Win:247

Cartesians
Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.0000
Br2 0.0000 0.0000 1.7650

Atom - Atom Distances bond lengths
Distances in Å
  N1 Br2
N1   1.7650
Br2 1.7650  

Calculated geometries for NBr (nitrogen monobromide).

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

Connectivity
Atom 1 Atom 2
N1 N1

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3   3Σ-
 
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for NBr (nitrogen monobromide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NBr (nitrogen monobromide).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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