## II.A.1. (XV.A.) |

INChI | SMILES | IUPAC name |
---|---|---|

InChI=1S/B2H4/c1-2/h1-2H2 | BB |

State | Conformation |
---|---|

^{1}A_{1} |
D2D |

Enthalpy of formation (Hfg),
Entropy,
Integrated heat capacity (0 K to 298.15 K) (HH),
Heat Capacity (Cp)

Information can also be found for this species in the
NIST Chemistry Webbook

Property | Value | Uncertainty | units | Reference | Comment |
---|

Vibrational levels (cm^{-1})

Calculated vibrational frequencies for B_{2}H_{4} (Diborane(4) D2d).

Mode Number | Symmetry | Frequency (cm^{-1}) |
Frequency Reference | Intensity (km mol^{-1}) |
Int. unc. | Intensity Reference | Comment |
---|

Calculated vibrational frequencies for B

Rotational Constants (cm^{-1})

See section I.F.4 to change rotational constant units

Calculated rotational constants for B_{2}H_{4} (Diborane(4) D2d).

See section I.F.4 to change rotational constant units

A | B | C | reference | comment |
---|

Calculated rotational constants for B

Product of moments of inertia | ||||
---|---|---|---|---|

amu^{3}Å^{6} |
0 | gm^{3} cm^{6} |

Geometric Data

Calculated geometries for B_{2}H_{4} (Diborane(4) D2d).

Point Group D_{2d}

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

Distances in Å

Calculated geometries for B

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type | Count |
---|---|

B-B | 1 |

H-B | 4 |

Connectivity

Atom 1 | Atom 2 |
---|---|

B1 | B2 |

B1 | H3 |

B1 | H4 |

B2 | H5 |

B2 | H6 |

Electronic energy levels (cm^{-1})

Energy (cm^{-1}) |
Degeneracy | reference | description |
---|

Dipole, Quadrupole and Polarizability

Electric dipole moment

For a molecule with D_{2d} symmetry there is no dipole.

Electric quadrupole moment

Calculated electric quadrupole moments for B_{2}H_{4} (Diborane(4) D2d).

Electric dipole moment

For a molecule with D

Electric quadrupole moment

Calculated electric quadrupole moments for B

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