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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
Rotational Constants from 1982Cha/Del:426
Calculated rotational constants for HO2 (Hydroperoxy radical).

Point Group Cs

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
picture of Hydroperoxy radical

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
O11.33310.9707
O21.33311.8325
H30.97071.8325

Calculated geometries for HO2 (Hydroperoxy radical).


References
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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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