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Geometry for Al(CH3)3 (trimethyl aluminum) 1A' C3H

1910171554
InChI=1S/3CH3.Al/h3*1H3; INChIKey=JLTRXTDYQLMHGR-UHFFFAOYSA-N

B3LYP/6-311G*


Point group is C3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 1.9723 0.0000   1.9505 -0.2920 0.0000
C3 -1.7080 -0.9861 0.0000   -1.2281 -1.5432 0.0000
C4 1.7080 -0.9861 0.0000   -0.7224 1.8352 0.0000
H5 -1.0017 2.4133 0.0000   2.2384 -1.3480 0.0000
H6 -1.5891 -2.0742 0.0000   -2.2866 -1.2645 0.0000
H7 2.5908 -0.3391 0.0000   0.0482 2.6125 0.0000
H8 0.5283 2.3768 0.8727   2.4289 0.1706 0.8727
H9 0.5283 2.3768 -0.8727   2.4289 0.1706 -0.8727
H10 -2.3226 -0.7309 0.8727   -1.0667 -2.1888 0.8727
H11 -2.3226 -0.7309 -0.8727   -1.0667 -2.1888 -0.8727
H12 1.7942 -1.6460 0.8727   -1.3622 2.0182 0.8727
H13 1.7942 -1.6460 -0.8727   -1.3622 2.0182 -0.8727
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9723 1.9723 1.9723 2.6129 2.6129 2.6129 2.5865 2.5865 2.5865 2.5865 2.5865 2.5865
C2 1.9723 3.4161 3.4161 1.0945 4.3473 3.4720 1.0974 1.0974 3.6692 3.6692 4.1319 4.1319
C3 1.9723 3.4161 3.4161 3.4720 1.0945 4.3473 4.1319 4.1319 1.0974 1.0974 3.6692 3.6692
C4 1.9723 3.4161 3.4161 4.3473 3.4720 1.0945 3.6692 3.6692 4.1319 4.1319 1.0974 1.0974
H5 2.6129 1.0945 3.4720 4.3473 4.5257 4.5257 1.7618 1.7618 3.5202 3.5202 5.0056 5.0056
H6 2.6129 4.3473 1.0945 3.4720 4.5257 4.5257 5.0056 5.0056 1.7618 1.7618 3.5202 3.5202
H7 2.6129 3.4720 4.3473 1.0945 4.5257 4.5257 3.5202 3.5202 5.0056 5.0056 1.7618 1.7618
H8 2.5865 1.0974 4.1319 3.6692 1.7618 5.0056 3.5202 1.7454 4.2173 4.5642 4.2173 4.5642
H9 2.5865 1.0974 4.1319 3.6692 1.7618 5.0056 3.5202 1.7454 4.5642 4.2173 4.5642 4.2173
H10 2.5865 3.6692 1.0974 4.1319 3.5202 1.7618 5.0056 4.2173 4.5642 1.7454 4.2173 4.5642
H11 2.5865 3.6692 1.0974 4.1319 3.5202 1.7618 5.0056 4.5642 4.2173 1.7454 4.5642 4.2173
H12 2.5865 4.1319 3.6692 1.0974 5.0056 3.5202 1.7618 4.2173 4.5642 4.2173 4.5642 1.7454
H13 2.5865 4.1319 3.6692 1.0974 5.0056 3.5202 1.7618 4.5642 4.2173 4.5642 4.2173 1.7454
Maximum atom distance is 5.0056Å between atoms H6 and H8.
picture of trimethyl aluminum
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Al1 C3 120.000 C2 Al1 C4 120.000
C3 Al1 C4 120.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Al1 C2 H5 113.762 Al1 C2 H8 111.633
Al1 C2 H9 111.633 Al1 C3 H6 113.762
Al1 C3 H10 111.633 Al1 C3 H11 111.633
Al1 C4 H7 113.762 Al1 C4 H12 111.633
Al1 C4 H13 111.633 H5 C2 H8 106.981
H5 C2 H9 106.981 H6 C3 H10 106.981
H6 C3 H11 106.981 H7 C4 H12 106.981
H7 C4 H13 106.981 H8 C2 H9 105.347
H10 C3 H11 105.347 H12 C4 H13 105.347

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.