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

Listing of experimental data for Al(CH3)3 (trimethyl aluminum)

INChI SMILES IUPAC name
InChI=1S/3CH3.Al/h3*1H3; C[Al](C)C
State Conformation
1A' C3H
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

Calculated vibrational frequencies for Al(CH3)3 (trimethyl aluminum).
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 Al(CH3)3 (trimethyl aluminum).

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

Geometric Data
picture of trimethyl aluminum

Point Group C3h

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 Al(CH3)3 (trimethyl aluminum).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Al 3
H-C 9

Connectivity
Atom 1 Atom 2
Al1 C2
Al1 C3
Al1 C4
C2 H5
C2 H8
C2 H9
C3 H6
C3 H10
C3 H11
C4 H7
C4 H12
C4 H13

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
For a molecule with C3h symmetry there is no dipole.
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for Al(CH3)3 (trimethyl aluminum).

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