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II.A.1. (XV.A.)

Listing of experimental data for HSO3 (HOSO2)

INChI SMILES IUPAC name
InChI=1S/HO3S/c1-4(2)3/h(H,1,2) O[S@]([O])=O
State Conformation
2A C1
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

Calculated vibrational frequencies for HSO3 (HOSO2).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for HSO3 (HOSO2).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of HOSO2

Point Group C1

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for HSO3 (HOSO2).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O-S 2
O=S 1
H-O 1

Connectivity
Atom 1 Atom 2
S1 O2
S1 O3
S1 O4
O2 H5

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for HSO3 (HOSO2).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for HSO3 (HOSO2).

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