II.A.3. (XII.A.1.) |
Listing of experimental geometry data for HO2 (Hydroperoxy radical)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A | B | C |
---|---|---|
20.35652 | 1.11803 | 1.05632 |
Calculated rotational constants for HO2 (Hydroperoxy radical).
Point Group C∞v
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 | ||||
rOH | 0.971 | 1 | 3 | 1984Lub/Ama:4826 | re values | ||
rOO | 1.331 | 1 | 2 | 1984Lub/Ama:4826 | re value | ||
aHOO | 104.29 | 2 | 1 | 3 | 1984Lub/Ama:4826 | equilibrium value |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type | Count |
---|---|
H-O | 1 |
O-O | 1 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
O1 | 0.0553 | -0.6132 | 0.0000 |
O2 | 0.0553 | 0.7198 | 0.0000 |
H3 | -0.8853 | -0.8528 | 0.0000 |
Atom - Atom Distances (Å)
O1 | O2 | H3 | |
---|---|---|---|
O1 | 1.3331 | 0.9707 | |
O2 | 1.3331 | 1.8325 | |
H3 | 0.9707 | 1.8325 |
Calculated geometries for HO2 (Hydroperoxy radical).
References
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By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib | reference | DOI |
---|---|---|
1982Cha/Del:426 | Charo, A.; De Lucia, F. "The Millimeter and Submillimter Spectrum of HO2: The Effects of Unpaired Electronic Spin in a Light Asymmetric Rotor." Journal of Molecular Spectroscopy. 94, 426-436 (1982) | 10.1016/0022-2852(82)90018-2 |
1984Lub/Ama:4826 | KG Lubic, T Amano, H Uehara, K Kawaguchi, E Hirota :The nu1 band of the DO2 radical by difference frequency laser and diode laser spectroscopy: The equilibrium sturcture of the hydroperoxyl radical" J. Chem. Phys. 81, 4826, 1984 | 10.1063/1.447508 |
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