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Experimental data for GeH4 (Germane)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/GeH4/h1H4 QUZPNFFHZPRKJD-UHFFFAOYSA-N [GeH4]
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
Hfg(298.15K) enthalpy of formation 90.37 2.09 kJ mol-1 1990Rus/Sch:1865
Hfg(0K) enthalpy of formation 101.21 2.09 kJ mol-1 1990Rus/Sch:1865
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 2106   webbook       sym stretch
2 E 931   webbook       deg. deform
3 T2 2114   webbook 332.0 7.0 1994Coa/McK:269 deg. stretch
4 T2 819   webbook 283.0 6.0 1994Coa/McK:269 deg. deform

vibrational zero-point energy: 6383.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeH4 (Germane).
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 GeH4 (Germane).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Germane

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for GeH4 (Germane).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Ge1 H2
Ge1 H3
Ge1 H4
Ge1 H5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1
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       0.000     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 GeH4 (Germane).
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 GeH4 (Germane).
Electric dipole polarizability (Å3) polarizability
alpha unc. Reference
4.770 0.092 2015Tha/Wu:144302

Calculated electric dipole polarizability for GeH4 (Germane).

References
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squib reference DOI
1990Rus/Sch:1865 B Ruscic, M Schwarz, J Berkowitz "Photoionization studies of GeHn (n=2-4)" J. Chem. Phys. 92(3), 1990, 1865 10.1063/1.458587
1994Coa/McK:269 AM Coats, DC McKean, D Steele "Infrared Intensities of nu3 and nu4 in SiH4, GeH4, and SnH4" J. Mol. Struct. 320(1994) 269-280 10.1016/0022-2860(94)07974-9
2015Tha/Wu:144302 AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015) 10.1063/1.4932594
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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