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Experimental data for F2- (flourine diatomic anion)

22 02 02 11 45
Other names
Bifluoriden; Fluor; Fluorine; Fluorine, compressed; Fluoro; Fluorures acide; Fluoruri acidi; Saeure fluoride; difluorine;
INChI INChIKey SMILES IUPAC name
InChI=1S/F2/c1-2 PXGOKWXKJXAPGV-UHFFFAOYSA-N FF difluorine
State Conformation
1Σg D*H
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 0.00 0.00 kJ mol-1 CODATA
Hfg(0K) enthalpy of formation 0.00 0.00 kJ mol-1 CODATA
Entropy (298.15K) entropy 202.79 0.00 J K-1 mol-1 CODATA
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.82 0.00 kJ mol-1 CODATA
Heat Capacity (298.15K) heat capacity 31.30   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 Σg 894 917 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
916.929 11.3221 -0.10572 0.889294 0.0125952 455.4118 2007Iri:389

vibrational zero-point energy: 447.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for F2- (flourine diatomic anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.88929   2007Iri:389

Calculated rotational constants for F2- (flourine diatomic anion).
Product of moments of inertia moments of inertia
18.9562amu Å2   3.1478E-39gm cm2
Geometric Data
picture of flourine diatomic anion

Point Group D∞h


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
rFF 1.412   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.4119

Atom - Atom Distances bond lengths
Distances in Å
  F1 F2
F1   1.4119
F2 1.4119  

Calculated geometries for F2- (flourine diatomic anion).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
F1 F2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σg

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
15.697 0.003 15.700   webbook

Electron Affinity (eV)
Electron Affinity unc. reference
3.005 0.071 webbook

Proton Affinity (kJ mol-1)
Proton Affinity unc. Product reference comment
332.0   H2F+ 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 1Σg D∞h True       0.000 NSRDS-NBS10   D∞h 0 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 F2- (flourine diatomic anion).
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 1Σg D∞h True       D∞h 0 1

Calculated electric quadrupole moments for F2- (flourine diatomic anion).
Electric dipole polarizability (Å3) polarizability
alpha unc. Reference
1.160   1998Gus/Rui:163

Calculated electric dipole polarizability for F2- (flourine diatomic anion).

References
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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2
1998Gus/Rui:163 M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215 10.1016/S0022-2860(97)00292-5
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
CODATA Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989 10.1002/bbpc.19900940121
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967 10.6028/NBS.NSRDS.10
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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