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Experimental data for Ga2H6 (digallane)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/2Ga.6H GFQCQFDOQMRGIQ-UHFFFAOYSA-N
InChI=1/2Ga.6H/rGa2H6/c3-1-2(3)4-1/h1-2H2 GFQCQFDOQMRGIQ-DFALRJEUNA-N
State Conformation
1AG D2H
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 Ag 2000   webbook      
2 Ag 1474          
3 Ag 736          
6 B1g 2011           renumbered from 11
8 B1u 1202           renumbered from 13
9 B1u 659           renumbered from 14
12 B2u 1993           renumbered from 8
13 B2u 760           renumbered from 9
15 B3g 763          
16 B3u 1976          
17 B3u 1273          
18 B3u 671          

Calculated vibrational frequencies for Ga2H6 (digallane).
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 Ga2H6 (digallane).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of digallane

Point Group D2h


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for Ga2H6 (digallane).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Ga-Ga 1
H-Ga 8

Connectivity
Atom 1 Atom 2
Ga1 Ga2
Ga1 H3
Ga1 H4
Ga1 H5
Ga1 H6
Ga2 H3
Ga2 H4
Ga2 H7
Ga2 H8
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1AG
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 1AG D2h True           D2h 0 2
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 Ga2H6 (digallane).
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 1AG D2h True       D2h 0 2

Calculated electric quadrupole moments for Ga2H6 (digallane).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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