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Experimental data for GeCl2 (Germanium dichloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Cl2Ge/c1-3-2 QHGIKMVOLGCZIP-UHFFFAOYSA-N Cl[Ge]Cl
State Conformation
1A1 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
Entropy (298.15K) entropy 295.83   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 13.28   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 53.78   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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 409   webbook      
2 A1 160   webbook      
3 B2 352   webbook      

vibrational zero-point energy: 460.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeCl2 (Germanium dichloride).
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 GeCl2 (Germanium dichloride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Germanium dichloride

Point Group C2v


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
rClGe 2.186 0.005 1 2 Gurvich
aClGeCl 100.4 0.5 2 1 3 Gurvich

Cartesians
Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.7208
Cl2 0.0000 1.6795 -0.6784
Cl3 0.0000 -1.6795 -0.6784

Atom - Atom Distances bond lengths
Distances in Å
  Ge1 Cl2 Cl3
Ge1   2.18602.1860
Cl2 2.1860   3.3589
Cl3 2.18603.3589  

Calculated geometries for GeCl2 (Germanium dichloride).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
Cl2 Ge1 Cl3 100.400

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Cl-Ge 2

Connectivity
Atom 1 Atom 2
Ge1 Cl2
Ge1 Cl3
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
10.200 0.050     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
2.559   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 C2v True           C2v 1 2
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 GeCl2 (Germanium dichloride).
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 C2v True       C2v 1 2

Calculated electric quadrupole moments for GeCl2 (Germanium dichloride).

References
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squib reference DOI
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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