return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for Te2 (Tellurium diatomic)

22 02 02 11 45
Other names
Ditellurium;
INChI INChIKey SMILES IUPAC name
InChI=1S/Te2/c1-2 JPIIVHIVGGOMMV-UHFFFAOYSA-N [Te]=[Te]
State Conformation
3Σg- D*H
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 Σg   247 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
247.07 0.5148 -0.00055 0.039681 0.000106 webbook

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for Te2 (Tellurium diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.03968   webbook 130Te

Calculated rotational constants for Te2 (Tellurium diatomic).
Product of moments of inertia moments of inertia
424.8288amu Å2   7.054558E-38gm cm2
Geometric Data
picture of Tellurium diatomic

Point Group D∞h


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
rTeTe 2.557   1 2 webbook

Cartesians
Atom x (Å) y (Å) z (Å)
Te1 0.0000 0.0000 1.2787
Te2 0.0000 0.0000 -1.2787

Atom - Atom Distances bond lengths
Distances in Å
  Te1 Te2
Te1   2.5574
Te2 2.5574  

Calculated geometries for Te2 (Tellurium diatomic).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Te=Te 1
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3   3Σg-

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
8.290 0.030     webbook
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 3Σg- D∞h True           D∞h 0 1
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 Te2 (Tellurium diatomic).
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 3Σg- D∞h True       D∞h 0 1

Calculated electric quadrupole moments for Te2 (Tellurium diatomic).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to [email protected].
squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

Got a better number? Please email us at [email protected]


Browse
PreviousNext