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Compare Experimental Geometries - experimental data

Species Name
CH2+ methylene cation
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
aHCH 103.0 1992Kuchitsu(II/21)   2 1 3  
aHCH 103.0 1992Kuchitsu(II/21)   1 2   
aHCH 103.0 1992Kuchitsu(II/21)   1 2   
rCH 1.085 1998Kuc r0 value 2 1 3  
rCH 1.085 1998Kuc r0 value 1 2   
rCH 1.085 1998Kuc r0 value 1 2   
aHCH 135.5 1998Kuc a0 value 2 1 3  
aHCH 135.5 1998Kuc a0 value 2 1 3  
rCH 1.107 1989Pet/Nes:6566 unc from fit, 0.005 from diff constants 2 1 3  
rCH 1.107 1989Pet/Nes:6566 unc from fit, 0.005 from diff constants 1 2   
rCH 1.107 1989Pet/Nes:6566 unc from fit, 0.005 from diff constants 1 2   
aHCH 102.4 1989Pet/Nes:6566 unc from fit. 0.06 from diff constants 2 1 3  
aHCH 102.4 1989Pet/Nes:6566 unc from fit. 0.06 from diff constants 2 1 3  

picture of
References
squibreference
1989Pet/Nes:6566 H Petek, DJ Nesbitt, DC Darwin, PR Ogilby, CB Moore, DA Ramsay "Analysis of CH2 a 1A1 (1,0,0) and (0,0,1) Coriolis-coupled states a 1A1 - X 3B1 spin-orbit coupling, and the equilibrium structure of CH2 a 1A1 state" J. Chem. Phys. 91(11) 6566, 1989
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998