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Experimental data for BH4- (borohydride anion)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/BH4/h1H4 RPHDAPRHVMJYOJ-UHFFFAOYSA-N [BH4]
State Conformation
2B2 C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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

Calculated vibrational frequencies for BH4- (borohydride anion).
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 BH4- (borohydride anion).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of borohydride anion

Point Group


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for BH4- (borohydride anion).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-B 4

Connectivity
Atom 1 Atom 2
B1 H2
B1 H3
B1 H4
B1 H5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2B2
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 2B2 C2v False           C2v 1 2
1 2 2B2 D2d False           D2d 0 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for BH4- (borohydride anion).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 2B2 C2v False       C2v 1 2
1 2 2B2 D2d False       D2d 0 1

Calculated electric quadrupole moments for BH4- (borohydride anion).

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