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Experimental data for GeH3F (monofluorogermane)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/FGeH3/c1-2/h2H3 BCQKCDCVNZQJKN-UHFFFAOYSA-N [GeH3]F
State Conformation
1A1 C3V
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 2121   webbook       GeH3 s-str
2 A1 859           GeH3 s-deform
3 A1 689           GeF str
4 E 2132           GeH3 d-str
5 E 874           GeH3 d-deform
6 E 643           GeH3 rock

vibrational zero-point energy: 5483.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeH3F (monofluorogermane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
2.60679 0.33395 0.33395 1991Gue/Che:493-510 B0

Calculated rotational constants for GeH3F (monofluorogermane).
Product of moments of inertia moments of inertia
16478.46amu3Å6   7.54544201792109E-116gm3 cm6
Geometric Data
picture of monofluorogermane

Point Group C3v


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
rGeF 1.731 0.000 1 2 1991Gue/Che:493-510 re
rGeH 1.515 0.000 1 3 1991Gue/Che:493-510 re
aFGeH 106.071 0.017 2 1 3 1991Gue/Che:493-510

Cartesians
Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.3255
F2 0.0000 0.0000 -1.4055
H3 0.0000 1.4553 0.7447
H4 -1.2604 -0.7277 0.7447
H5 1.2604 -0.7277 0.7447

Atom - Atom Distances bond lengths
Distances in Å
  Ge1 F2 H3 H4 H5
Ge1   1.73091.51451.51451.5145
F2 1.7309   2.59642.59642.5964
H3 1.51452.5964   2.52072.5207
H4 1.51452.59642.5207   2.5207
H5 1.51452.59642.52072.5207  

Calculated geometries for GeH3F (monofluorogermane).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Ge1 H3 106.071 F2 Ge1 H4 106.071
F2 Ge1 H5 106.071 H3 Ge1 H4 112.647
H3 Ge1 H5 112.647 H4 Ge1 H5 112.647

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Ge-F 1
Ge-H 3

Connectivity
Atom 1 Atom 2
Ge1 F2
Ge1 H3
Ge1 H4
Ge1 H5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
    12.300 0.100 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 C3v True     2.330 2.330 1972Kri/Mor:1357-1358 MW ± 0.06 D μ0 C3v 1 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 GeH3F (monofluorogermane).
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 C3v True       C3v 1 1

Calculated electric quadrupole moments for GeH3F (monofluorogermane).

References
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squib reference DOI
1972Kri/Mor:1357-1358 LC Krisher, JA Morrison, WA Watson "Microwave Spectrum of Fluorogermane, GeH3F and GeD3F" J. Chem. Phys. 57, 1357 (1972) 10.1063/1.1678403
1991Gue/Che:493-510 M Le Guennec, W Chen, G Wlodarczak, J Demaison, R Eujen, H Bürger "The millimeterwave spectrum of germyl fluoride: Determination and comparison of the effective, substitution, and equilibrium structures" J. Mol. Spect.150, 1991, 493-510 10.1016/0022-2852(91)90244-5
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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