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Experimental data for LiCl+ (lithium chloride cation)

22 02 02 11 45
Other names
Chlorku litu; Chlorure de lithium; Lithium chloride; Lithium chloride (LiCl);
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH.Li/h1H;/q;+1/p-1 KWGKDLIKAYFUFQ-UHFFFAOYSA-M [Li]Cl Lithium chloride
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 -195.72 12.60 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation -195.57 12.60 kJ mol-1 JANAF
Entropy (298.15K) entropy 212.92   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.06   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 33.24   J K-1 mol-1 JANAF
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 634 643 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
642.9545 4.47253 0.020118 0.7065225 8.01019E-03 320.5499 2007Iri:389

vibrational zero-point energy: 317.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for LiCl+ (lithium chloride cation).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/LiCl.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.70652   2007Iri:389

Calculated rotational constants for LiCl+ (lithium chloride cation).
Product of moments of inertia moments of inertia
23.86amu Å2   3.962108E-39gm cm2
Geometric Data
picture of lithium chloride cation

Point Group C∞v

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