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

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

PBEPBE/3-21G*


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 1.9855 0.0000   0.0651 -1.9844 0.0000
C3 -1.7195 -0.9927 0.0000   1.6860 1.0486 0.0000
C4 1.7195 -0.9927 0.0000   -1.7511 0.9358 0.0000
H5 -1.0194 2.4137 0.0000   1.0980 -2.3790 0.0000
H6 -1.5807 -2.0897 0.0000   1.5113 2.1404 0.0000
H7 2.6000 -0.3241 0.0000   -2.6093 0.2386 0.0000
H8 0.5361 2.3782 0.8880   -0.4578 -2.3945 0.8880
H9 0.5361 2.3782 -0.8880   -0.4578 -2.3945 -0.8880
H10 -2.3276 -0.7248 0.8880   2.3026 0.8008 0.8880
H11 -2.3276 -0.7248 -0.8880   2.3026 0.8008 -0.8880
H12 1.7915 -1.6533 0.8880   -1.8448 1.5937 0.8880
H13 1.7915 -1.6533 -0.8880   -1.8448 1.5937 -0.8880
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9855 1.9855 1.9855 2.6202 2.6202 2.6202 2.5945 2.5945 2.5945 2.5945 2.5945 2.5945
C2 1.9855 3.4390 3.4390 1.1057 4.3710 3.4777 1.1091 1.1091 3.6813 3.6813 4.1520 4.1520
C3 1.9855 3.4390 3.4390 3.4777 1.1057 4.3710 4.1520 4.1520 1.1091 1.1091 3.6813 3.6813
C4 1.9855 3.4390 3.4390 4.3710 3.4777 1.1057 3.6813 3.6813 4.1520 4.1520 1.1091 1.1091
H5 2.6202 1.1057 3.4777 4.3710 4.5382 4.5382 1.7914 1.7914 3.5144 3.5144 5.0230 5.0230
H6 2.6202 4.3710 1.1057 3.4777 4.5382 4.5382 5.0230 5.0230 1.7914 1.7914 3.5144 3.5144
H7 2.6202 3.4777 4.3710 1.1057 4.5382 4.5382 3.5144 3.5144 5.0230 5.0230 1.7914 1.7914
H8 2.5945 1.1091 4.1520 3.6813 1.7914 5.0230 3.5144 1.7761 4.2224 4.5808 4.2224 4.5808
H9 2.5945 1.1091 4.1520 3.6813 1.7914 5.0230 3.5144 1.7761 4.5808 4.2224 4.5808 4.2224
H10 2.5945 3.6813 1.1091 4.1520 3.5144 1.7914 5.0230 4.2224 4.5808 1.7761 4.2224 4.5808
H11 2.5945 3.6813 1.1091 4.1520 3.5144 1.7914 5.0230 4.5808 4.2224 1.7761 4.5808 4.2224
H12 2.5945 4.1520 3.6813 1.1091 5.0230 3.5144 1.7914 4.2224 4.5808 4.2224 4.5808 1.7761
H13 2.5945 4.1520 3.6813 1.1091 5.0230 3.5144 1.7914 4.5808 4.2224 4.5808 4.2224 1.7761
Maximum atom distance is 5.0230Å between atoms H7 and H10.
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 112.788 Al1 C2 H8 110.734
Al1 C2 H9 110.734 Al1 C3 H6 112.788
Al1 C3 H10 110.734 Al1 C3 H11 110.734
Al1 C4 H7 112.788 Al1 C4 H12 110.734
Al1 C4 H13 110.734 H5 C2 H8 107.967
H5 C2 H9 107.967 H6 C3 H10 107.967
H6 C3 H11 107.967 H7 C4 H12 107.967
H7 C4 H13 107.967 H8 C2 H9 106.387
H10 C3 H11 106.387 H12 C4 H13 106.387

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