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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/LANL2DZ


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 1.9853 0.0000   0.1185 -1.9817 0.0000
C3 -1.7193 -0.9926 0.0000   1.6570 1.0935 0.0000
C4 1.7193 -0.9926 0.0000   -1.7755 0.8883 0.0000
H5 -1.0137 2.4096 0.0000   1.1556 -2.3448 0.0000
H6 -1.5799 -2.0826 0.0000   1.4528 2.1732 0.0000
H7 2.5936 -0.3269 0.0000   -2.6085 0.1716 0.0000
H8 0.5279 2.3853 0.8809   -0.3846 -2.4125 0.8809
H9 0.5279 2.3853 -0.8809   -0.3846 -2.4125 -0.8809
H10 -2.3297 -0.7355 0.8809   2.2816 0.8732 0.8809
H11 -2.3297 -0.7355 -0.8809   2.2816 0.8732 -0.8809
H12 1.8018 -1.6498 0.8809   -1.8970 1.5394 0.8809
H13 1.8018 -1.6498 -0.8809   -1.8970 1.5394 -0.8809
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9853 1.9853 1.9853 2.6141 2.6141 2.6141 2.5970 2.5970 2.5970 2.5970 2.5970 2.5970
C2 1.9853 3.4386 3.4386 1.0989 4.3640 3.4746 1.1021 1.1021 3.6886 3.6886 4.1517 4.1517
C3 1.9853 3.4386 3.4386 3.4746 1.0989 4.3640 4.1517 4.1517 1.1021 1.1021 3.6886 3.6886
C4 1.9853 3.4386 3.4386 4.3640 3.4746 1.0989 3.6886 3.6886 4.1517 4.1517 1.1021 1.1021
H5 2.6141 1.0989 3.4746 4.3640 4.5278 4.5278 1.7757 1.7757 3.5212 3.5212 5.0181 5.0181
H6 2.6141 4.3640 1.0989 3.4746 4.5278 4.5278 5.0181 5.0181 1.7757 1.7757 3.5212 3.5212
H7 2.6141 3.4746 4.3640 1.0989 4.5278 4.5278 3.5212 3.5212 5.0181 5.0181 1.7757 1.7757
H8 2.5970 1.1021 4.1517 3.6886 1.7757 5.0181 3.5212 1.7618 4.2314 4.5835 4.2314 4.5835
H9 2.5970 1.1021 4.1517 3.6886 1.7757 5.0181 3.5212 1.7618 4.5835 4.2314 4.5835 4.2314
H10 2.5970 3.6886 1.1021 4.1517 3.5212 1.7757 5.0181 4.2314 4.5835 1.7618 4.2314 4.5835
H11 2.5970 3.6886 1.1021 4.1517 3.5212 1.7757 5.0181 4.5835 4.2314 1.7618 4.5835 4.2314
H12 2.5970 4.1517 3.6886 1.1021 5.0181 3.5212 1.7757 4.2314 4.5835 4.2314 4.5835 1.7618
H13 2.5970 4.1517 3.6886 1.1021 5.0181 3.5212 1.7757 4.5835 4.2314 4.5835 4.2314 1.7618
Maximum atom distance is 5.0181Å 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 112.713 Al1 C2 H8 111.281
Al1 C2 H9 111.281 Al1 C3 H6 112.713
Al1 C3 H10 111.281 Al1 C3 H11 111.281
Al1 C4 H7 112.713 Al1 C4 H12 111.281
Al1 C4 H13 111.281 H5 C2 H8 107.561
H5 C2 H9 107.561 H6 C3 H10 107.561
H6 C3 H11 107.561 H7 C4 H12 107.561
H7 C4 H13 107.561 H8 C2 H9 106.121
H10 C3 H11 106.121 H12 C4 H13 106.121

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