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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH2 (Methylene)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
73.05775 8.41517 7.21927
Rotational Constants from 1982Sea/Bun:5348
Calculated rotational constants for CH2 (Methylene).

Point Group D∞h

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCH 1.085 1 2 1998Kuc r0 value
aHCH 135.5 2 1 3 1998Kuc a0 value
picture of Methylene

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 2

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.1027
H2 0.0000 1.0042 -0.3081
H3 0.0000 -1.0042 -0.3081

Atom - Atom Distances (Å)
  C1 H2 H3
C11.08501.0850
H21.08502.0084
H31.08502.0084

Calculated geometries for CH2 (Methylene).


References
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squib reference DOI
1982Sea/Bun:5348 Sears, T.J.; Jennings, D.A.; Brown, J.M. "The rotational spectrum and hyperfine structure of the methylene radical CH2 studied by far-infrared laser magnetic resonance spectroscopy." Journal of Chemical Physics. 77, 5348-5362 (1982) 10.1063/1.443783
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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