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 SbCl3 (Antimony Trichloride)

22 02 02 11 45
Other names
Trichlorostibine; Antimonous chloride; Antimony(III) trichloride; Stibine, trichloro-;
INChI INChIKey SMILES IUPAC name
InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3 Cl[Sb](Cl)Cl
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 380   1992Kon/Bye:589-593       sym stretch
2 A1 153           sym. deform.
3 E 352           deg. stretch
4 E 122           deg. bend

vibrational zero-point energy: 740.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SbCl3 (Antimony Trichloride).
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 SbCl3 (Antimony Trichloride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Antimony Trichloride

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
rSbCl 2.333   1 2 1988Sak/Miy:4452-4453
aClSbCl 97.2 0.9 2 1 3 1988Sak/Miy:4452-4453

Cartesians
Atom x (Å) y (Å) z (Å)
Sb1 0.0000 0.0000 0.5830
Cl2 0.0000 2.0207 -0.5830
Cl3 1.7500 -1.0104 -0.5830
Cl4 -1.7500 -1.0104 -0.5830

Atom - Atom Distances bond lengths
Distances in Å
  Sb1 Cl2 Cl3 Cl4
Sb1   2.33302.33302.3330
Cl2 2.3330   3.50003.5000
Cl3 2.33303.5000   3.5000
Cl4 2.33303.50003.5000  

Calculated geometries for SbCl3 (Antimony Trichloride).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 Sb1 Cl3 97.200 Cl2 Sb1 Cl4 97.200
Cl3 Sb1 Cl4 97.200

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Cl-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
11.000 0.100 10.730   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 SbCl3 (Antimony Trichloride).
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 SbCl3 (Antimony Trichloride).

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
1988Sak/Miy:4452-4453 Y Sakai, E Miyoshi "Theoretical study of geometries and dipole moments of AsX3 and SbX3 (X=F, Cl, Br, and I) molecules" J. Chem. Phys. 89, 4452 (1988) 10.1063/1.454783
1992Kon/Bye:589-593 AV Kondyurin, NK Byelousova, SL Byelousova, AT Kozulin "Influence of the Non-Diagonal Part of the Potential Energy Matrix in the SbC13 Molecule on the Results of Calculating the Force Constants of Intermolecular Interaction" J. RAMAN SPECT., 23, 589-593 (1992) 10.1002/jrs.1250231103
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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


Browse
PreviousNext