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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/Def2TZVPP


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 1.9724 0.0000   1.9705 0.0870 0.0000
C3 -1.7082 -0.9862 0.0000   -0.9099 -1.7500 0.0000
C4 1.7082 -0.9862 0.0000   -1.0606 1.6630 0.0000
H5 -1.0102 2.4052 0.0000   2.4475 -0.9031 0.0000
H6 -1.5779 -2.0775 0.0000   -2.0059 -1.6680 0.0000
H7 2.5881 -0.3277 0.0000   -0.4416 2.5711 0.0000
H8 0.5319 2.3680 0.8800   2.3422 0.6359 0.8800
H9 0.5319 2.3680 -0.8800   2.3422 0.6359 -0.8800
H10 -2.3167 -0.7233 0.8800   -0.6204 -2.3463 0.8800
H11 -2.3167 -0.7233 -0.8800   -0.6204 -2.3463 -0.8800
H12 1.7847 -1.6447 0.8800   -1.7218 1.7104 0.8800
H13 1.7847 -1.6447 -0.8800   -1.7218 1.7104 -0.8800
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9724 1.9724 1.9724 2.6088 2.6088 2.6088 2.5816 2.5816 2.5816 2.5816 2.5816 2.5816
C2 1.9724 3.4163 3.4163 1.0991 4.3464 3.4625 1.1017 1.1017 3.6617 3.6617 4.1283 4.1283
C3 1.9724 3.4163 3.4163 3.4625 1.0991 4.3464 4.1283 4.1283 1.1017 1.1017 3.6617 3.6617
C4 1.9724 3.4163 3.4163 4.3464 3.4625 1.0991 3.6617 3.6617 4.1283 4.1283 1.1017 1.1017
H5 2.6088 1.0991 3.4625 4.3464 4.5185 4.5185 1.7760 1.7760 3.5027 3.5027 4.9988 4.9988
H6 2.6088 4.3464 1.0991 3.4625 4.5185 4.5185 4.9988 4.9988 1.7760 1.7760 3.5027 3.5027
H7 2.6088 3.4625 4.3464 1.0991 4.5185 4.5185 3.5027 3.5027 4.9988 4.9988 1.7760 1.7760
H8 2.5816 1.1017 4.1283 3.6617 1.7760 4.9988 3.5027 1.7600 4.2036 4.5572 4.2036 4.5572
H9 2.5816 1.1017 4.1283 3.6617 1.7760 4.9988 3.5027 1.7600 4.5572 4.2036 4.5572 4.2036
H10 2.5816 3.6617 1.1017 4.1283 3.5027 1.7760 4.9988 4.2036 4.5572 1.7600 4.2036 4.5572
H11 2.5816 3.6617 1.1017 4.1283 3.5027 1.7760 4.9988 4.5572 4.2036 1.7600 4.5572 4.2036
H12 2.5816 4.1283 3.6617 1.1017 4.9988 3.5027 1.7760 4.2036 4.5572 4.2036 4.5572 1.7600
H13 2.5816 4.1283 3.6617 1.1017 4.9988 3.5027 1.7760 4.5572 4.2036 4.5572 4.2036 1.7600
Maximum atom distance is 4.9988Å between atoms H5 and H12.
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 113.191 Al1 C2 H8 111.041
Al1 C2 H9 111.041 Al1 C3 H6 113.191
Al1 C3 H10 111.041 Al1 C3 H11 111.041
Al1 C4 H7 113.191 Al1 C4 H12 111.041
Al1 C4 H13 111.041 H5 C2 H8 107.604
H5 C2 H9 107.604 H6 C3 H10 107.604
H6 C3 H11 107.604 H7 C4 H12 107.604
H7 C4 H13 107.604 H8 C2 H9 106.018
H10 C3 H11 106.018 H12 C4 H13 106.018

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