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Experimental data for SO3+ (Sulfur trioxide cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/O3S/c1-4(2)3/q+1 OCAJGPLXGNEGFT-UHFFFAOYSA-N [O][S+]([O])[O]
State Conformation
2A2' D3H
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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for SO3+ (Sulfur trioxide cation).
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 SO3+ (Sulfur trioxide cation).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Sulfur trioxide cation

Point Group D3h


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 SO3+ (Sulfur trioxide cation).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=S 3

Connectivity
Atom 1 Atom 2
S1 O2
S1 O3
S1 O4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2A2'
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 2A2' D3h False           D3h 0 1
1 2 2B2 C2V 1 long True          
1 3 2B2 C2v          
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for SO3+ (Sulfur trioxide cation).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 2A2' D3h False       D3h 0 1
1 2 2B2 C2V 1 long True      
1 3 2B2 C2v      

Calculated electric quadrupole moments for SO3+ (Sulfur trioxide cation).

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