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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
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 1A1 C2v True           C2v 1 2
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 TeO2 (Tellurium Dioxide).
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 1A1 C2v True       C2v 1 2

Calculated electric quadrupole moments for TeO2 (Tellurium Dioxide).

References
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squib reference DOI
1998Kon/Boo:447-453 RJM Konings, AS Booij, A Kovacs "The infrared spectra of SeO and TeO in the gas phase" Chem Phys. Lett. 292 (1998) 447–453 10.1016/S0009-2614(98)00689-7
2000Hul/Bro:261-265 DF Hullah, JM Brown "The Electronic Spectrum of Tellurium Dioxide" J. Mol. Spect. 200, 261–265 (2000) 10.1006/jmsp.1999.8044

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