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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/6-31+G**


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 1.9807 0.0000   1.9748 -0.1526 0.0000
C3 -1.7153 -0.9903 0.0000   -1.1195 -1.6339 0.0000
C4 1.7153 -0.9903 0.0000   -0.8553 1.7865 0.0000
H5 -1.0133 2.4168 0.0000   2.3316 -1.1964 0.0000
H6 -1.5864 -2.0859 0.0000   -2.2019 -1.4210 0.0000
H7 2.5997 -0.3309 0.0000   -0.1297 2.6174 0.0000
H8 0.5357 2.3772 0.8827   2.4114 0.3510 0.8827
H9 0.5357 2.3772 -0.8827   2.4114 0.3510 -0.8827
H10 -2.3266 -0.7246 0.8827   -0.9017 -2.2639 0.8827
H11 -2.3266 -0.7246 -0.8827   -0.9017 -2.2639 -0.8827
H12 1.7909 -1.6526 0.8827   -1.5097 1.9128 0.8827
H13 1.7909 -1.6526 -0.8827   -1.5097 1.9128 -0.8827
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9807 1.9807 1.9807 2.6206 2.6206 2.6206 2.5918 2.5918 2.5918 2.5918 2.5918 2.5918
C2 1.9807 3.4307 3.4307 1.1031 4.3651 3.4787 1.1061 1.1061 3.6757 3.6757 4.1457 4.1457
C3 1.9807 3.4307 3.4307 3.4787 1.1031 4.3651 4.1457 4.1457 1.1061 1.1061 3.6757 3.6757
C4 1.9807 3.4307 3.4307 4.3651 3.4787 1.1031 3.6757 3.6757 4.1457 4.1457 1.1061 1.1061
H5 2.6206 1.1031 3.4787 4.3651 4.5391 4.5391 1.7833 1.7833 3.5175 3.5175 5.0202 5.0202
H6 2.6206 4.3651 1.1031 3.4787 4.5391 4.5391 5.0202 5.0202 1.7833 1.7833 3.5175 3.5175
H7 2.6206 3.4787 4.3651 1.1031 4.5391 4.5391 3.5175 3.5175 5.0202 5.0202 1.7833 1.7833
H8 2.5918 1.1061 4.1457 3.6757 1.7833 5.0202 3.5175 1.7654 4.2207 4.5750 4.2207 4.5750
H9 2.5918 1.1061 4.1457 3.6757 1.7833 5.0202 3.5175 1.7654 4.5750 4.2207 4.5750 4.2207
H10 2.5918 3.6757 1.1061 4.1457 3.5175 1.7833 5.0202 4.2207 4.5750 1.7654 4.2207 4.5750
H11 2.5918 3.6757 1.1061 4.1457 3.5175 1.7833 5.0202 4.5750 4.2207 1.7654 4.5750 4.2207
H12 2.5918 4.1457 3.6757 1.1061 5.0202 3.5175 1.7833 4.2207 4.5750 4.2207 4.5750 1.7654
H13 2.5918 4.1457 3.6757 1.1061 5.0202 3.5175 1.7833 4.5750 4.2207 4.5750 4.2207 1.7654
Maximum atom distance is 5.0202Å 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 113.288 Al1 C2 H8 111.007
Al1 C2 H9 111.007 Al1 C3 H6 113.288
Al1 C3 H10 111.007 Al1 C3 H11 111.007
Al1 C4 H7 113.288 Al1 C4 H12 111.007
Al1 C4 H13 111.007 H5 C2 H8 107.648
H5 C2 H9 107.648 H6 C3 H10 107.648
H6 C3 H11 107.648 H7 C4 H12 107.648
H7 C4 H13 107.648 H8 C2 H9 105.890
H10 C3 H11 105.890 H12 C4 H13 105.890

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