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Geometry for (trimethyl arsine) 1A1 C3V

1910171554
InChI=1S/C3H9As/c1-4(2)3/h1-3H3 INChIKey=HTDIUWINAKAPER-UHFFFAOYSA-N

MP2=FULL/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.4698   0.0000 0.0000 0.4698
C2 0.0000 1.6675 -0.5157   1.5911 -0.4990 -0.5157
C3 1.4441 -0.8338 -0.5157   -0.3634 1.6274 -0.5157
C4 -1.4441 -0.8338 -0.5157   -1.2277 -1.1284 -0.5157
H5 0.0000 1.4896 -1.5864   1.4213 -0.4457 -1.5864
H6 1.2900 -0.7448 -1.5864   -0.3247 1.4538 -1.5864
H7 -1.2900 -0.7448 -1.5864   -1.0967 -1.0080 -1.5864
H8 -0.8796 2.2406 -0.2439   1.8747 -1.5097 -0.2439
H9 2.3802 -0.3586 -0.2439   0.3701 2.3784 -0.2439
H10 -1.5006 -1.8820 -0.2439   -2.2448 -0.8687 -0.2439
H11 0.8796 2.2406 -0.2439   2.4011 0.1688 -0.2439
H12 1.5006 -1.8820 -0.2439   -1.3467 1.9950 -0.2439
H13 -2.3802 -0.3586 -0.2439   -1.0544 -2.1638 -0.2439
Atom - Atom Distances (Å)
  As1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
As1 1.9369 1.9369 1.9369 2.5391 2.5391 2.5391 2.5106 2.5106 2.5106 2.5106 2.5106 2.5106
C2 1.9369 2.8882 2.8882 1.0854 2.9376 2.9376 1.0844 3.1376 3.8633 1.0844 3.8633 3.1376
C3 1.9369 2.8882 2.8882 2.9376 1.0854 2.9376 3.8633 1.0844 3.1376 3.1376 1.0844 3.8633
C4 1.9369 2.8882 2.8882 2.9376 2.9376 1.0854 3.1376 3.8633 1.0844 3.8633 3.1376 1.0844
H5 2.5391 1.0854 2.9376 2.9376 2.5800 2.5800 1.7720 3.2990 3.9271 1.7720 3.9271 3.2990
H6 2.5391 2.9376 1.0854 2.9376 2.5800 2.5800 3.9271 1.7720 3.2990 3.2990 1.7720 3.9271
H7 2.5391 2.9376 2.9376 1.0854 2.5800 2.5800 3.2990 3.9271 1.7720 3.9271 3.2990 1.7720
H8 2.5106 1.0844 3.8633 3.1376 1.7720 3.9271 3.2990 4.1691 4.1691 1.7591 4.7604 3.0013
H9 2.5106 3.1376 1.0844 3.8633 3.2990 1.7720 3.9271 4.1691 4.1691 3.0013 1.7591 4.7604
H10 2.5106 3.8633 3.1376 1.0844 3.9271 3.2990 1.7720 4.1691 4.1691 4.7604 3.0013 1.7591
H11 2.5106 1.0844 3.1376 3.8633 1.7720 3.2990 3.9271 1.7591 3.0013 4.7604 4.1691 4.1691
H12 2.5106 3.8633 1.0844 3.1376 3.9271 1.7720 3.2990 4.7604 1.7591 3.0013 4.1691 4.1691
H13 2.5106 3.1376 3.8633 1.0844 3.2990 3.9271 1.7720 3.0013 4.7604 1.7591 4.1691 4.1691
Maximum atom distance is 4.7604Å between atoms H9 and H13.
picture of trimethyl arsine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 As1 C3 96.414 C2 As1 C4 96.414
C3 As1 C4 96.414
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
As1 C2 H5 111.149 As1 C2 H8 109.114
As1 C2 H11 109.114 As1 C3 H6 111.149
As1 C3 H9 109.114 As1 C3 H12 109.114
As1 C4 H7 111.149 As1 C4 H10 109.114
As1 C4 H13 109.114 H5 C2 H8 109.506
H5 C2 H11 109.506 H6 C3 H9 109.506
H6 C3 H12 109.506 H7 C4 H10 109.506
H7 C4 H13 109.506 H8 C2 H11 108.405
H9 C3 H12 108.405 H10 C4 H13 108.405

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