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Experimental data for TeO2 (Tellurium Dioxide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/O2Te/c1-3-2 LAJZODKXOMJMPK-UHFFFAOYSA-N O=[Te]=O
State Conformation
1A1 C2V
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
1 A1 823   2000Hul/Bro:261-265       TeO2 s-stretch
2 A1 282           bend
3 B2 853           TeO2 a-stretch

vibrational zero-point energy: 979.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for TeO2 (Tellurium Dioxide).
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 TeO2 (Tellurium Dioxide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Tellurium Dioxide

Point Group C2v


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
rOTe 1.830 0.020 1 2 1998Kon/Boo:447-453
aOTeO 110 2 2 1 3 1998Kon/Boo:447-453

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for TeO2 (Tellurium Dioxide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=Te 2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
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