Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
CH2+ | methylene cation |
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 |
squib | reference |
---|---|
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 |