return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for GeF2 (Germanium difluoride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/F2Ge/c1-3-2 GGJOARIBACGTDV-UHFFFAOYSA-N F[Ge]F
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
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 692   webbook       nu1 and nu3 switched in original (1968Has/Hau:4492)
2 A1 263   1968Has/Hau:4492      
3 B2 663   2006Ant/Bor:4900       nu1 and nu3 switched in original (1968Has/Hau:4492)

vibrational zero-point energy: 809.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeF2 (Germanium difluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
0.51790 0.26181 0.17341 NISTtriatomic 72Ge

Calculated rotational constants for GeF2 (Germanium difluoride).
Product of moments of inertia moments of inertia
203744.4amu3Å6   9.32939931375375E-115gm3 cm6
Geometric Data
picture of Germanium difluoride

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
rGeCl 1.732 0.001 1 2 1971Tak/Cur:464-475
aFGeF 97.17 2 1 3 1971Tak/Cur:464-475

Cartesians
Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.4125
F2 0.0000 1.2989 -0.7333
F3 0.0000 -1.2989 -0.7333

Atom - Atom Distances bond lengths
Distances in Å
  Ge1 F2 F3
Ge1   1.73211.7321
F2 1.7321   2.5979
F3 1.73212.5979  

Calculated geometries for GeF2 (Germanium difluoride).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
F2 Ge1 F3 97.167

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Ge1 F2
Ge1 F3
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
12.900 0.300     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 0.000 0.000 2.610 2.610 NISTtriatomic MW μ0 ± 0.02 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 GeF2 (Germanium difluoride).
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 GeF2 (Germanium difluoride).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to [email protected].
squib reference DOI
1968Has/Hau:4492 JW Hastie, R Hauge, JL Margrave " Infrared Vibrational Properties of GeF2" J. Phys. Chem., 1968, 72 (13), pp 4492–4496 10.1021/j100859a020
1971Tak/Cur:464-475 H Takeo, RF Curl Jr, PW Wilson "Microwave Spectrum of GeF2" J. Mol. Spect. 38, 464-475 (1971) 10.1016/0022-2852(71)90072-5
2006Ant/Bor:4900 P Antoniotti, S Borocci, N Bronzolino, M Giordani, F Grandinetti "Cationic Germanium Fluorides: A Theoretical Investigation on the Structure, Stability, and Thermochemistry of GeFn/GeFn+ (n=1-3)" J. Phys. Chem. A 2006, 110, 4900-4905 10.1021/jp057064m
NISTtriatomic NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html) 10.18434/T4DW2S
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

Got a better number? Please email us at [email protected]


Browse
PreviousNext