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II.A.1. (XV.A.)

Listing of experimental data for SeO (Selenium monoxide)

INChI SMILES IUPAC name
InChI=1/OSe/c1-2 [Se]=O
State Conformation
3Σ C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 57.40 6.21 kJ mol-1 2005Se
Hfg(0K) enthalpy of formation   6.21 kJ mol-1 2005Se
Entropy (298.15K) entropy 233.70 1.00 J K-1 mol-1 2005Se
Heat Capacity (298.15K) heat capacity 32.52 0.25 J K-1 mol-1 2005Se
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 915 webbook       omega e

vibrational zero-point energy: 457.3 cm-1
Calculated vibrational frequencies for SeO (Selenium monoxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.47058 0.47058 NISTdiatomic

Calculated rotational constants for SeO (Selenium monoxide).

Product of moments of inertia moments of inertia
35.82285amu Å2   5.948616E-39gm cm2

Geometric Data
picture of Selenium monoxide

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 bond lengths
Distances in Å
  Se1 O2
Se1   1.6395
O2 1.6395  

Calculated geometries for SeO (Selenium monoxide).

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

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 0 webbook 3Σ
165.9 2 webbook 1?
5300 2 webbook
9723.5 1 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.456 0.020 webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for SeO (Selenium monoxide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for SeO (Selenium monoxide).

References
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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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