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Experimental data for GeBr4 (Germanium tetrabromide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Br4Ge/c1-5(2,3)4 Br[Ge](Br)(Br)Br
State Conformation
1A1 TD
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
1 A1 235   webbook      
2 E 79          
3 T2 327          
4 T2 112          

vibrational zero-point energy: 855.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeBr4 (Germanium tetrabromide).
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 GeBr4 (Germanium tetrabromide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Germanium tetrabromide

Point Group Td


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
rGeBr 2.272 0.001 1 2 1975Sou/Wie:442-444 ED r0

Cartesians
Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.0000
Br2 1.3117 1.3117 1.3117
Br3 -1.3117 -1.3117 1.3117
Br4 -1.3117 1.3117 -1.3117
Br5 1.3117 -1.3117 -1.3117

Atom - Atom Distances bond lengths
Distances in Å
  Ge1 Br2 Br3 Br4 Br5
Ge1   2.27202.27202.27202.2720
Br2 2.2720   3.71023.71023.7102
Br3 2.27203.7102   3.71023.7102
Br4 2.27203.71023.7102   3.7102
Br5 2.27203.71023.71023.7102  

Calculated geometries for GeBr4 (Germanium tetrabromide).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 Ge1 Br3 109.471 Br2 Ge1 Br4 109.471
Br2 Ge1 Br5 109.471 Br3 Ge1 Br4 109.471
Br3 Ge1 Br5 109.471 Br4 Ge1 Br5 109.471

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Ge1 Br2
Ge1 Br3
Ge1 Br4
Ge1 Br5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.620 0.040     webbook
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 1A1 Td True           Td 0 0
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 GeBr4 (Germanium tetrabromide).
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 1A1 Td True       Td 0 0

Calculated electric quadrupole moments for GeBr4 (Germanium tetrabromide).

References
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squib reference DOI
1975Sou/Wie:442-444 GGB Souza, JD Wieser "A Reinvestigation of the structure of GeBr4 by Electron Diffraction" J. Mol. Struct. 25 (1975) 442-444 10.1016/0022-2860(75)85022-8
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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