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Experimental data for ICl (Iodine monochloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/ClI/c1-2 QZRGKCOWNLSUDK-UHFFFAOYSA-N ICl
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 17.51   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 247.56   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 381 384 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
384.29 1.501 0.1141587 0.0005354 webbook

vibrational zero-point energy: 190.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for ICl (Iodine monochloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.11416   webbook

Calculated rotational constants for ICl (Iodine monochloride).
Product of moments of inertia moments of inertia
147.6684amu Å2   2.452129E-38gm cm2
Geometric Data
picture of Iodine monochloride

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
rClI 2.321 0.000 1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
I1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.3209

Atom - Atom Distances bond lengths
Distances in Å
  I1 Cl2
I1   2.3209
Cl2 2.3209  

Calculated geometries for ICl (Iodine monochloride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
I1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 webbook 1Σ
13742 3 webbook

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.080 0.010     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
2.410 0.100 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 1Σ C∞v True       1.207 1997Dur/Loi:477-484 ± 0.003 MB 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 ICl (Iodine monochloride).
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 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for ICl (Iodine monochloride).

References
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squib reference DOI
1997Dur/Loi:477-484 A Durand, JC Loison, J Vigue "Spectroscopy of pendular states: Determination of the electric dipole moment of ICl in the X 1Sigma+(v"=0) and A 3PI1(v'=6-29) levels" J. Chem. Phys. 106, 477 (1997) 10.1063/1.474086
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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