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Experimental data for ClF3 (Chlorine trifluoride)

22 02 02 11 45
Other names
Chlorine fluoride; Chlorine fluoride (ClF3); Chlorine trifluoride; Chlorotrifluoride; Trifluorure de chlore;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClF3/c2-1(3)4 JOHWNGGYGAVMGU-UHFFFAOYSA-N FCl(F)F Chlorine trifluoride
State Conformation
1A1' D3H
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 752   Shim      
2 A1 529   Shim      
3 A1 328   Shim      
4 B1 328   Shim      
5 B2 702   Shim      
6 B2 442   VEEL5      

Calculated vibrational frequencies for ClF3 (Chlorine trifluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for ClF3 (Chlorine trifluoride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Chlorine trifluoride

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for ClF3 (Chlorine trifluoride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Cl 3

Connectivity
Atom 1 Atom 2
Cl1 F2
Cl1 F3
Cl1 F4
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 Comment
12.650 0.050 13.050 0.050 webbook lower limit for EA

Electron Affinity (eV)
Electron Affinity unc. reference Comment
2.398 0.100 webbook lower limit for EA
Dipole, Quadrupole and Polarizability
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State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole