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II.A.1. (XV.A.)

Listing of experimental data for F2 (Fluorine diatomic)

Other names
Bifluoriden; Fluor; Fluorine; Fluorine, compressed; Fluoro; Fluorures acide; Fluoruri acidi; Rcra waste number P056; Saeure fluoride; UN 1045; difluorine;
INChI SMILES IUPAC name
InChI=1/F2/c1-2 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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σg 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: 458.5 cm-1
Calculated vibrational frequencies for F2 (Fluorine diatomic).
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 (Fluorine diatomic).

Product of moments of inertia moments of inertia
18.9562amu Å2   3.1478E-39gm cm2

Geometric Data
picture of Fluorine diatomic

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 (Fluorine diatomic).

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

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
For a molecule with D∞h symmetry there is no dipole.
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for F2 (Fluorine diatomic).

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  
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  
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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