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Experimental data for F2- (flourine diatomic anion)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/F2/c1-2/q+1 PCZTVBPMAMPCIP-UHFFFAOYSA-N [F+]F
State Conformation
2Πg 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
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 Σ 1055 1073 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1073.3 9.13 1.015 0.01 webbook

vibrational zero-point energy: 527.5 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
  1.01500   webbook

Calculated rotational constants for F2- (flourine diatomic anion).
Product of moments of inertia moments of inertia
16.6085amu Å2   2.75795E-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 1.322   1 2 webbook

Cartesians
Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.3220

Atom - Atom Distances bond lengths
Distances in Å
  F1 F2
F1   1.3220
F2 1.3220  

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 2   2Πg
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 2Πg D∞h True           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 2Πg D∞h True       D∞h 0 1

Calculated electric quadrupole moments for F2- (flourine diatomic anion).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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