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

Listing of experimental data for IF (Iodine monofluoride)

INChI SMILES IUPAC name
InChI=1S/FI/c1-2 IF
State Conformation
1Σ C*V
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 -94.76   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 236.27   J K-1 mol-1 webbook
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 Σ 610 webbook      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
610.24 3.123 -0.00347 0.27971 0.001873 webbook

vibrational zero-point energy: 305.1 cm-1
Calculated vibrational frequencies for IF (Iodine monofluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.27971   webbook

Calculated rotational constants for IF (Iodine monofluoride).

Product of moments of inertia moments of inertia
60.26824amu Å2   1.000793E-38gm cm2

Geometric Data
picture of Iodine monofluoride

Point Group C∞v

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
rFI 1.910   1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
I1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.9098

Atom - Atom Distances bond lengths
Distances in Å
  I1 F2
I1   1.9098
F2 1.9098  

Calculated geometries for IF (Iodine monofluoride).

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

Connectivity
Atom 1 Atom 2
I1 I1

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 Comment
10.540 0.010     webbook EA lower limit

Electron Affinity (eV)
Electron Affinity unc. reference Comment
1.000 0.190 webbook EA lower limit

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for IF (Iodine monofluoride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for IF (Iodine monofluoride).

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

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