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Geometry for C2H3+ (vinyl cation) 1A1 C2V bridging H

1910171554
InChI=1S/C2H3/c1-2/h1H,2H2/q+1 INChIKey=QLLSNXSJBAXPLZ-UHFFFAOYSA-N

CCD/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.0000 0.0000 1.0471   1.0471 0.0000 0.0000
C2 0.0000 0.6111 -0.0751   -0.0751 0.0000 0.6111
C3 0.0000 -0.6111 -0.0751   -0.0751 0.0000 -0.6111
H4 0.0000 1.6882 -0.0730   -0.0730 0.0000 1.6882
H5 0.0000 -1.6882 -0.0730   -0.0730 0.0000 -1.6882
Atom - Atom Distances (Å)
  H1 C2 C3 H4 H5
H1 1.2778 1.2778 2.0260 2.0260
C2 1.2778 1.2222 1.0771 2.2993
C3 1.2778 1.2222 2.2993 1.0771
H4 2.0260 1.0771 2.2993 3.3765
H5 2.0260 2.2993 1.0771 3.3765
Maximum atom distance is 3.3765Å between atoms H4 and H5.
picture of vinyl cation
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 61.428 H1 C2 H4 118.459
H1 C3 C2 61.428 H1 C3 H5 118.459
C2 H1 C3 57.143 C2 C3 H5 179.888
C3 C2 H4 179.888

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