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 AsBr3 (Arsenic tribromide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/AsBr3/c2-1(3)4 JMBNQWNFNACVCB-UHFFFAOYSA-N BrAs(Br)Br
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

Calculated vibrational frequencies for AsBr3 (Arsenic tribromide).
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 AsBr3 (Arsenic tribromide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Arsenic tribromide

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
rAsBr 2.324 0.003 1 2 1976Rob:81-84 rz
aBrAsBr 99.8 0.2 2 1 3 1976Rob:81-84

Cartesians
Atom x (Å) y (Å) z (Å)
As1 0.0000 0.0000 0.3010
Br2 0.0000 2.2901 -0.0946
Br3 1.9833 -1.1450 -0.0946
Br4 -1.9833 -1.1450 -0.0946

Atom - Atom Distances bond lengths
Distances in Å
  As1 Br2 Br3 Br4
As1   2.32402.32402.3240
Br2 2.3240   3.96653.9665
Br3 2.32403.9665   3.9665
Br4 2.32403.96653.9665  

Calculated geometries for AsBr3 (Arsenic tribromide).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 As1 Br3 117.164 Br2 As1 Br4 117.164
Br3 As1 Br4 117.164

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
As-Br 3

Connectivity
Atom 1 Atom 2
As1 Br2
As1 Br3
As1 Br4
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
8.700 0.050 10.210 0.040 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 AsBr3 (Arsenic tribromide).
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 AsBr3 (Arsenic tribromide).

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
1976Rob:81-84 AG Robiette "Microwave spectrum and molecular structure of arsenic tribromide" J. Mol. Struct. 35, 1976, 81-84 10.1016/0022-2860(76)80103-2
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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


Browse
PreviousNext