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Experimental data for TiCl (Titanium Monochloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH.Ti/h1H;/q;+1/p-1 PDBOLQCPEKXSBW-UHFFFAOYSA-M [Ti]Cl
State Conformation
4Σ 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
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
2 Σ 404   1997Ram/Ber:113      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
0.1625506 8.041823E-04 2001Mae/Hir:250

Calculated vibrational frequencies for TiCl (Titanium Monochloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.16148   1997Ram/Ber:113 B0

Calculated rotational constants for TiCl (Titanium Monochloride).
Product of moments of inertia moments of inertia
104.3946amu Å2   1.73354E-38gm cm2
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