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

Listing of experimental data for GaO (Gallium monoxide)

INChI SMILES IUPAC name
InChI=1S/Ga.O [Ga]=O
State Conformation
2Σ 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
1 768 webbook      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
767.5 6.24 0.4271 webbook

vibrational zero-point energy: 383.8 cm-1
Calculated vibrational frequencies for GaO (Gallium monoxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for GaO (Gallium monoxide).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of Gallium 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
rOGa 1.743 0.006 1 2 webbook

Cartesians
Atom x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.7430

Atom - Atom Distances bond lengths
Distances in Å
  Ga1 O2
Ga1   1.7430
O2 1.7430  

Calculated geometries for GaO (Gallium monoxide).

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

Connectivity
Atom 1 Atom 2
Ga1 O2

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
9.400 0.500     webbook

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

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

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