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Experimental data for BH (Boron monohydride)

22 02 02 11 45
Other names
Borane; Borane(1);
INChI INChIKey SMILES IUPAC name
InChI=1S/BH/h1H UWBOAQKPEXKXSU-UHFFFAOYSA-N [BH]
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 442.70 8.40 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 439.52 8.40 kJ mol-1 JANAF
Entropy (298.15K) entropy 171.85   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.64   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 29.18   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 2269 2367 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2366.729 49.33983 0.36227 12.02575 0.421565 1172.635 2007Iri:389

vibrational zero-point energy: 1134.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for BH (Boron monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  12.02575   2007Iri:389

Calculated rotational constants for BH (Boron monohydride).
Product of moments of inertia moments of inertia
1.401795amu Å2   2.327767E-40gm cm2
Geometric Data
picture of Boron monohydride

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
rBH 1.232   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.2324

Atom - Atom Distances bond lengths
Distances in Å
  B1 H2
B1   1.2324
H2 1.2324  

Calculated geometries for BH (Boron monohydride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
B1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ
5000 6 1979HUB/HER 3Π
23135.8 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.770 0.050     webbook
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