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Experimental data for ClF+ (clorine monofluoride cation)

22 02 02 11 45
Other names
Chlorine fluoride; Chlorine monofluoride; Chlorofluoride; Fluorine chloride;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClF/c1-2 OMRRUNXAWXNVFW-UHFFFAOYSA-N ClF Chlorine fluoride
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 -50.29 0.42 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation -50.20 0.42 kJ mol-1 JANAF
Entropy (298.15K) entropy 217.94   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.91   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 32.06   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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 773 783 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
783.4534 4.9487 -0.0176 0.5164805 0.0043385 390.51 2007Iri:389

vibrational zero-point energy: 386.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for ClF+ (clorine monofluoride cation).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/ClF.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.51648   2007Iri:389

Calculated rotational constants for ClF+ (clorine monofluoride cation).
Product of moments of inertia moments of inertia
32.63943amu Å2   5.41999E-39gm cm2
Geometric Data
picture of clorine monofluoride cation

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
rFCl 1.628 0.000 1 2 NISTdiatomic re Cl(35)

Cartesians
Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 1.6283

Atom - Atom Distances bond lengths
Distances in Å
  F1 Cl2
F1   1.6283
Cl2 1.6283  

Calculated geometries for ClF+ (clorine monofluoride cation).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
F1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ+
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