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Experimental data for SbF3 (Antimony Trifluoride)

22 02 02 11 45
Other names
Stibine, trifluoro-;
INChI INChIKey SMILES IUPAC name
InChI=1S/3FH.Sb/h3*1H;/q;;;+3/p-3 F[Sb](F)F
State Conformation
1A1 C3V
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 666   1972Ale/Bea:1745-1750      
2 A1 250          
3 E 634          
4 E 215          

vibrational zero-point energy: 1307.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SbF3 (Antimony Trifluoride).
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 SbF3 (Antimony Trifluoride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Antimony Trifluoride

Point Group C3v


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
rFSb 1.880 0.004 1 2 1997Mol/Kol:441-446
aFSbF 94.9 0.2 2 1 3 1997Mol/Kol:441-446

Cartesians
Atom x (Å) y (Å) z (Å)
Sb1 0.0000 0.0000 0.3421
F2 0.0000 1.5992 -0.6462
F3 1.3850 -0.7996 -0.6462
F4 -1.3850 -0.7996 -0.6462

Atom - Atom Distances bond lengths
Distances in Å
  Sb1 F2 F3 F4
Sb1   1.88001.88001.8800
F2 1.8800   2.76992.7699
F3 1.88002.7699   2.7699
F4 1.88002.76992.7699  

Calculated geometries for SbF3 (Antimony Trifluoride).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Sb1 F3 94.900 F2 Sb1 F4 94.900
F3 Sb1 F4 94.900

Bond descriptions


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

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
12.100   12.660   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 1A1 C3v True           C3v 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 SbF3 (Antimony Trifluoride).
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 C3v True       C3v 1 1

Calculated electric quadrupole moments for SbF3 (Antimony Trifluoride).

References
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squib reference DOI
1972Ale/Bea:1745-1750 LE Alexander, IR Beattie "A Sapphire Cell for High-temperature Raman Studies of Reactive Gases. The Vibrational Spectra of SeF4, SeOF2, TiF4, and SbF3" J.C.S. Dalton Trans. (1972) 1745-1750 10.1039/DT9720001745
1997Mol/Kol:441-446 J Molnar, Maria Kolonits, Magdolna Hargittai "Molecular structure of SbF3 and BiF3: an electron diffraction study" J. Mol. Struct. 413-414 ( 1997) 441-446 10.1016/S0022-2860(97)00057-4
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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