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II.A.1. (XV.A.) |
| INChI | SMILES | IUPAC name |
|---|---|---|
| InChI=1/OSe/c1-2 | [Se]=O |
| State | Conformation |
|---|---|
| 3Σ |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|---|---|---|---|---|
Hfg(298.15K) ![]() |
57.40 | 6.21 | kJ mol-1 | 2005Se | |
Hfg(0K) ![]() |
6.21 | kJ mol-1 | 2005Se | ||
Entropy (298.15K) ![]() |
233.70 | 1.00 | J K-1 mol-1 | 2005Se | |
Heat Capacity (298.15K) ![]() |
32.52 | 0.25 | J K-1 mol-1 | 2005Se |
| Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
|---|---|---|---|---|---|---|---|
| 1 | Σ | 915 | webbook | omega e |
| A | B | C | reference | comment |
|---|---|---|---|---|
| 0.47058 | 0.47058 | NISTdiatomic |
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| 35.82285 | amu Å2 | 5.948616E-39 | gm cm2 | |
Point Group C∞v
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 | |||||
| rSeO | 1.639 | 0.001 | 1 | 2 | NISTdiatomic | re | ||
Cartesians
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| Se1 | 0.0000 | 0.0000 | 0.0000 |
| O2 | 0.0000 | 0.0000 | 1.6395 |
Atom - Atom Distances
Distances in Å
| Se1 | O2 | |
|---|---|---|
| Se1 | 1.6395 | |
| O2 | 1.6395 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| O-Se | 1 |
Connectivity
| Atom 1 | Atom 2 |
|---|---|
| Se1 | O2 |
| Energy (cm-1) | Degeneracy | reference | description |
|---|---|---|---|
| 0 | 0 | webbook | 3Σ |
| 165.9 | 2 | webbook | 1? |
| 5300 | 2 | webbook | |
| 9723.5 | 1 | webbook |
Ionization Energies (eV)
| Ionization Energy | I.E. unc. | vertical I.E. | v.I.E. unc. | Electron Affinity | E.A. unc. | reference |
|---|---|---|---|---|---|---|
| 1.456 | 0.020 | webbook |
| squib | reference | DOI |
|---|---|---|
| 2005Se | A Olin, B Nolang, G Osadchii, L-O Ohman, E Rosen, "CHEMICAL THERMODYNAMICS OF SELENIUM", OECD Nuclear Energy Agency, Elsevier, 2005 | |
| NISTdiatomic | NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) | |
| webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |
Got a better number? Please email us at
cccbdb@nist.gov
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