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Experimental data for SiBr (Silicon monobromide)

22 02 02 11 45
Other names
Bromosilylidyne; Silylidyne, bromo-;
InChI=1S/BrSi/c1-2 [Si]Br
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
Hfg(298.15K) enthalpy of formation 235.33   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 247.51   J K-1 mol-1 webbook
Heat Capacity (298.15K) heat capacity 38.85   J K-1 mol-1 webbook
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 421 424 1981Bos/LeB:787      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
424.14 1.41 0.1671 0.0008 1981Bos/LeB:787

vibrational zero-point energy: 210.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiBr (Silicon monobromide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.16710   1981Bos/LeB:787

Calculated rotational constants for SiBr (Silicon monobromide).
Product of moments of inertia moments of inertia
100.8835amu Å2   1.675236E-38gm cm2
Geometric Data
picture of Silicon monobromide

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
rSiBr 2.209   1 2 1981Bos/LeB:787

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
Br2 0.0000 0.0000 2.2090

Atom - Atom Distances bond lengths
Distances in Å
  Si1 Br2
Si1   2.2090
Br2 2.2090  

Calculated geometries for SiBr (Silicon monobromide).

Bond descriptions

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

Atom 1 Atom 2
Si1 Br2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1981Bos/LeB:787 2Π
20937.6 2 1981Bos/LeB:787

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.000 1.000     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 2Π C∞v True           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 SiBr (Silicon monobromide).
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 SiBr (Silicon monobromide).

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squib reference DOI
1981Bos/LeB:787 G Bosser, J LeBreton, J Rostas "The emission Spectrum of SiBr: The (A-X) system" Journal de chimie physique 1981, 78, no 10, 787-794 10.1051/jcp/1981780787
webbook NIST Chemistry Webbook ( 10.18434/T4D303

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