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II.A.1. (XV.A.)

Listing of experimental data for GaCl (Gallium monochloride)

INChI SMILES IUPAC name
InChI=1S/ClH.Ga/h1H;/q;+1/p-1 [Ga]Cl
State Conformation
1ΣG 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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 365 webbook      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
365.3 1.2 0.1499045 0.0007936 webbook

vibrational zero-point energy: 182.6 cm-1
Calculated vibrational frequencies for GaCl (Gallium monochloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.14990   webbook Be

Calculated rotational constants for GaCl (Gallium monochloride).

Product of moments of inertia moments of inertia
112.4558amu Å2   1.867402E-38gm cm2

Geometric Data
picture of Gallium 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
rClGa 2.202   1 2 webbook

Cartesians
Atom x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.2017

Atom - Atom Distances bond lengths
Distances in Å
  Ga1 Cl2
Ga1   2.2017
Cl2 2.2017  

Calculated geometries for GaCl (Gallium monochloride).

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

Connectivity
Atom 1 Atom 2
Ga1 Cl2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.910   10.070   webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for GaCl (Gallium monochloride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for GaCl (Gallium monochloride).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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