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

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

HSEh1PBE/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 1.9691 0.0000   1.9232 -0.4223 0.0000
C3 -1.7053 -0.9845 0.0000   -1.3273 -1.4544 0.0000
C4 1.7053 -0.9845 0.0000   -0.5959 1.8767 0.0000
H5 -1.0063 2.4015 0.0000   2.1298 -1.4980 0.0000
H6 -1.5766 -2.0722 0.0000   -2.3621 -1.0954 0.0000
H7 2.5829 -0.3292 0.0000   0.2324 2.5934 0.0000
H8 0.5312 2.3630 0.8767   2.4220 0.0121 0.8767
H9 0.5312 2.3630 -0.8767   2.4220 0.0121 -0.8767
H10 -2.3120 -0.7215 0.8767   -1.2005 -2.1035 0.8767
H11 -2.3120 -0.7215 -0.8767   -1.2005 -2.1035 -0.8767
H12 1.7808 -1.6415 0.8767   -1.2214 2.0914 0.8767
H13 1.7808 -1.6415 -0.8767   -1.2214 2.0914 -0.8767
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9691 1.9691 1.9691 2.6038 2.6038 2.6038 2.5758 2.5758 2.5758 2.5758 2.5758 2.5758
C2 1.9691 3.4105 3.4105 1.0953 4.3379 3.4574 1.0982 1.0982 3.6542 3.6542 4.1202 4.1202
C3 1.9691 3.4105 3.4105 3.4574 1.0953 4.3379 4.1202 4.1202 1.0982 1.0982 3.6542 3.6542
C4 1.9691 3.4105 3.4105 4.3379 3.4574 1.0953 3.6542 3.6542 4.1202 4.1202 1.0982 1.0982
H5 2.6038 1.0953 3.4574 4.3379 4.5099 4.5099 1.7703 1.7703 3.4966 3.4966 4.9883 4.9883
H6 2.6038 4.3379 1.0953 3.4574 4.5099 4.5099 4.9883 4.9883 1.7703 1.7703 3.4966 3.4966
H7 2.6038 3.4574 4.3379 1.0953 4.5099 4.5099 3.4966 3.4966 4.9883 4.9883 1.7703 1.7703
H8 2.5758 1.0982 4.1202 3.6542 1.7703 4.9883 3.4966 1.7534 4.1950 4.5467 4.1950 4.5467
H9 2.5758 1.0982 4.1202 3.6542 1.7703 4.9883 3.4966 1.7534 4.5467 4.1950 4.5467 4.1950
H10 2.5758 3.6542 1.0982 4.1202 3.4966 1.7703 4.9883 4.1950 4.5467 1.7534 4.1950 4.5467
H11 2.5758 3.6542 1.0982 4.1202 3.4966 1.7703 4.9883 4.5467 4.1950 1.7534 4.5467 4.1950
H12 2.5758 4.1202 3.6542 1.0982 4.9883 3.4966 1.7703 4.1950 4.5467 4.1950 4.5467 1.7534
H13 2.5758 4.1202 3.6542 1.0982 4.9883 3.4966 1.7703 4.5467 4.1950 4.5467 4.1950 1.7534
Maximum atom distance is 4.9883Å 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 113.252 Al1 C2 H8 111.023
Al1 C2 H9 111.023 Al1 C3 H6 113.252
Al1 C3 H10 111.023 Al1 C3 H11 111.023
Al1 C4 H7 113.252 Al1 C4 H12 111.023
Al1 C4 H13 111.023 H5 C2 H8 107.626
H5 C2 H9 107.626 H6 C3 H10 107.626
H6 C3 H11 107.626 H7 C4 H12 107.626
H7 C4 H13 107.626 H8 C2 H9 105.941
H10 C3 H11 105.941 H12 C4 H13 105.941

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