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

Listing of experimental data for HBr- (hydrogen bromide anion)

Other names
Bromwasserstoff; Hydrobromic acid; hydrogen bromide;
INChI SMILES IUPAC name
InChI=1/BrH/h1H Br hydrogen bromide
State Conformation
1Σ
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 -36.29 0.16 kJ mol-1 CODATA
Hfg(0K) enthalpy of formation -28.44 0.16 kJ mol-1 CODATA
Entropy (298.15K) entropy 198.59 0.00 J K-1 mol-1 CODATA
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.65 0.00 kJ mol-1 CODATA
Heat Capacity (298.15K) heat capacity 29.14   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

vibrational zero-point energy: 1324.5 cm-1
Calculated vibrational frequencies for HBr- (hydrogen bromide anion).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/HBr.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  8.46488   webbook Be

Calculated rotational constants for HBr- (hydrogen bromide anion).

Product of moments of inertia moments of inertia
1.991479amu Å2   3.30698E-40gm cm2

Geometric Data
picture of hydrogen bromide anion

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
rHBr 1.414 0.000 1 2 NISTdiatomic re Br(81)

Cartesians
Atom x (Å) y (Å) z (Å)
H1 0.0000 0.0000 0.0000
Br2 0.0000 0.0000 1.4144

Atom - Atom Distances bond lengths
Distances in Å
  H1 Br2
H1   1.4144
Br2 1.4144  

Calculated geometries for HBr- (hydrogen bromide anion).

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

Connectivity
Atom 1 Atom 2
H1 Br2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. Electron Affinity E.A. unc. reference
11.680 0.030         webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
0.827 NISTdiatomic  

Calculated electric dipole moments for HBr- (hydrogen bromide anion).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for HBr- (hydrogen bromide anion).
References
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squib reference DOI
CODATA Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989  
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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