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Experimental data for GaCl3 (Gallium trichloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3 UPWPDUACHOATKO-UHFFFAOYSA-K Cl[Ga](Cl)Cl
State Conformation
1A1' D3H
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
1 A1' 382   1984Sjo/Kla:457      
2 A2" 143   1984Sjo/Kla:457      
3 E' 464   1984Sjo/Kla:457      
4 E' 131   1984Sjo/Kla:457      

vibrational zero-point energy: 857.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GaCl3 (Gallium trichloride).
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 GaCl3 (Gallium trichloride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Gallium trichloride

Point Group D3h


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 2.180 0.003 1 2 1995Kuchitsu(II/23)

Cartesians
Atom x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 0.0000
Cl2 0.0000 2.1803 0.0000
Cl3 1.8256 -1.0540 0.0000
Cl4 -1.8256 -1.0540 0.0000

Atom - Atom Distances bond lengths
Distances in Å
  Ga1 Cl2 Cl3 Cl4
Ga1   2.18032.10802.1080
Cl2 2.1803   3.71403.7140
Cl3 2.10803.7140   3.6512
Cl4 2.10803.71403.6512  

Calculated geometries for GaCl3 (Gallium trichloride).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 Ga1 Cl3 120.000 Cl2 Ga1 Cl4 120.000
Cl3 Ga1 Cl4 120.000

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Cl-Ga 3

Connectivity
Atom 1 Atom 2
Ga1 Cl2
Ga1 Cl3
Ga1 Cl4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1'

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
11.520       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 1A1' D3h True           D3h 0 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 GaCl3 (Gallium trichloride).
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 1A1' D3h True       D3h 0 1

Calculated electric quadrupole moments for GaCl3 (Gallium trichloride).

References
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squib reference DOI
1984Sjo/Kla:457 CE Sjogren, P Klaeboe, E Rytter "High temperature infrared spectra of dimeric and monomeric AlBr3, AlI3 and GaCl3 in the vapour phase" Spectrochimica Acta Vol. 40A No. 5 457-465, 1984 10.1016/0584-8539(84)80078-1
1995Kuchitsu(II/23) Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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