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Experimental data for SeF (Selenium monofluoride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/FSe/c1-2 MWHREXSRHFCLNE-UHFFFAOYSA-N [Se]F
State Conformation
2Π 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
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 Σ 685 689 1985Tho/Car:4544      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
688.8 1.84 1985Tho/Car:4544

vibrational zero-point energy: 342.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SeF (Selenium monofluoride).
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 SeF (Selenium monofluoride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Selenium monofluoride

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for SeF (Selenium monofluoride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Se 1

Connectivity
Atom 1 Atom 2
Se1 F2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
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 2Π C∞v True       1.520 1971Byf/Car:271 ± 0.05 C∞v 1 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 SeF (Selenium monofluoride).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SeF (Selenium monofluoride).

References
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squib reference DOI
1971Byf/Car:271 CR Byfleet, A Carrington, DK Russell, "Electric dipole moments of open-shell diatomic molceules" Molecular Physics 1971, 20(2), 271-277 10.1080/00268977100100251
1985Tho/Car:4544 WG Thorpe, WR Carper, SJ Davis "Chemiluminescent reaction of selenium with fluorine: Assignment of the SeF A 2Pi3/2 state" J. Chem. Phys. 83, 4544 (1985) 10.1063/1.449024

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