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

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

MP2/6-31G**


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 1.9718 0.0000   0.4924 -1.9094 0.0000
C3 -1.7076 -0.9859 0.0000   1.4074 1.3811 0.0000
C4 1.7076 -0.9859 0.0000   -1.8997 0.5283 0.0000
H5 -0.9995 2.4056 0.0000   1.5685 -2.0798 0.0000
H6 -1.5835 -2.0684 0.0000   1.0169 2.3982 0.0000
H7 2.5830 -0.3372 0.0000   -2.5854 -0.3184 0.0000
H8 0.5277 2.3645 0.8719   0.0794 -2.4213 0.8719
H9 0.5277 2.3645 -0.8719   0.0794 -2.4213 -0.8719
H10 -2.3115 -0.7252 0.8719   2.0572 1.2794 0.8719
H11 -2.3115 -0.7252 -0.8719   2.0572 1.2794 -0.8719
H12 1.7838 -1.6392 0.8719   -2.1366 1.1419 0.8719
H13 1.7838 -1.6392 -0.8719   -2.1366 1.1419 -0.8719
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9718 1.9718 1.9718 2.6049 2.6049 2.6049 2.5748 2.5748 2.5748 2.5748 2.5748 2.5748
C2 1.9718 3.4153 3.4153 1.0895 4.3394 3.4646 1.0922 1.0922 3.6575 3.6575 4.1209 4.1209
C3 1.9718 3.4153 3.4153 3.4646 1.0895 4.3394 4.1209 4.1209 1.0922 1.0922 3.6575 3.6575
C4 1.9718 3.4153 3.4153 4.3394 3.4646 1.0895 3.6575 3.6575 4.1209 4.1209 1.0922 1.0922
H5 2.6049 1.0895 3.4646 4.3394 4.5119 4.5119 1.7590 1.7590 3.5048 3.5048 4.9867 4.9867
H6 2.6049 4.3394 1.0895 3.4646 4.5119 4.5119 4.9867 4.9867 1.7590 1.7590 3.5048 3.5048
H7 2.6049 3.4646 4.3394 1.0895 4.5119 4.5119 3.5048 3.5048 4.9867 4.9867 1.7590 1.7590
H8 2.5748 1.0922 4.1209 3.6575 1.7590 4.9867 3.5048 1.7438 4.1961 4.5440 4.1961 4.5440
H9 2.5748 1.0922 4.1209 3.6575 1.7590 4.9867 3.5048 1.7438 4.5440 4.1961 4.5440 4.1961
H10 2.5748 3.6575 1.0922 4.1209 3.5048 1.7590 4.9867 4.1961 4.5440 1.7438 4.1961 4.5440
H11 2.5748 3.6575 1.0922 4.1209 3.5048 1.7590 4.9867 4.5440 4.1961 1.7438 4.5440 4.1961
H12 2.5748 4.1209 3.6575 1.0922 4.9867 3.5048 1.7590 4.1961 4.5440 4.1961 4.5440 1.7438
H13 2.5748 4.1209 3.6575 1.0922 4.9867 3.5048 1.7590 4.5440 4.1961 4.5440 4.1961 1.7438
Maximum atom distance is 4.9867Å 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 113.460 Al1 C2 H8 111.070
Al1 C2 H9 111.070 Al1 C3 H6 113.460
Al1 C3 H10 111.070 Al1 C3 H11 111.070
Al1 C4 H7 113.460 Al1 C4 H12 111.070
Al1 C4 H13 111.070 H5 C2 H8 107.464
H5 C2 H9 107.464 H6 C3 H10 107.464
H6 C3 H11 107.464 H7 C4 H12 107.464
H7 C4 H13 107.464 H8 C2 H9 105.939
H10 C3 H11 105.939 H12 C4 H13 105.939

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