Experimental data for BrO- (Bromine monoxide anion)
22 02 02 11 45
| INChI |
INChIKey |
SMILES |
IUPAC name |
| InChI=1S/BrO/c1-2/q+1 |
|
[Br+]=O |
|
| State |
Conformation |
| 3Σ |
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)  |
1131.60 |
1.50 |
kJ mol-1 |
ATcT |
|
Hfg(0K)  |
1139.30 |
1.50 |
kJ mol-1 |
ATcT |
|
Information can also be found for this species in the
NIST Chemistry Webbook
Vibrational levels (cm-1)
| Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
| Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
| 1 |
Σ |
840 |
|
2000Dyk/Gam:6262-6274 |
|
|
|
+-30 |
|
vibrational zero-point energy: 420.0 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
BrO
- (Bromine monoxide anion).
Geometric Data
Point Group C∞v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Br1 |
0.0000 |
0.0000 |
0.0000 |
| O2 |
0.0000 |
0.0000 |
1.6350 |
Atom - Atom Distances
Distances in Å
| |
Br1 |
O2 |
| Br1 |
|
1.6350 |
| O2 |
1.6350 |
|
Calculated geometries
for BrO
- (Bromine monoxide anion).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
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 |
| |
|
|
|
|
Dipole, Quadrupole and Polarizability
Electric dipole moment
| State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
| x |
y |
z |
total |
dipole |
quadrupole |
| 1 |
1 |
3Σ |
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
BrO
- (Bromine monoxide anion).
Electric quadrupole moment
| State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
| xx |
yy |
zz |
dipole |
quadrupole |
| 1 |
1 |
3Σ |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
BrO
- (Bromine monoxide anion).
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].
Got a better number? Please email us at
[email protected]