return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for ClO (Monochlorine monoxide)

22 02 02 11 45
Other names
Chlorine oxide;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClO/c1-2 NHYCGSASNAIGLD-UHFFFAOYSA-N Cl[O]
State Conformation
2Π 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 101.22 2.10 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 101.30 2.10 kJ mol-1 JANAF
Entropy (298.15K) entropy 226.65   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.85   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 31.55   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 843 854 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
853.6427 5.518278 -0.01256 0.623458 5.935713E-03 425.6295 2007Iri:389

vibrational zero-point energy: 421.3 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for ClO (Monochlorine monoxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/ClO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.62346   2007Iri:389

Calculated rotational constants for ClO (Monochlorine monoxide).
Product of moments of inertia moments of inertia
27.03892amu Å2   4.489989E-39gm cm2
Geometric Data
picture of Monochlorine monoxide

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
rClO 1.596 0.001 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 1.5696

Atom - Atom Distances bond lengths
Distances in Å
  O1 Cl2
O1   1.5696
Cl2 1.5696  

Calculated geometries for ClO (Monochlorine monoxide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
O1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
318 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.890 0.020 11.010 0.010 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
2.276 0.006 webbook
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 2Π C∞v True       1.239 NISTdiatomic   C∞v 1 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 ClO (Monochlorine monoxide).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for ClO (Monochlorine monoxide).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
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 10.1007/978-1-4757-0961-2
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) 10.18434/T4T59X
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext