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II.A.1. (XV.A.)

Listing of experimental data for BrONO (Bromine nitrite)

INChI SMILES IUPAC name
InChI=1S/BrNO2/c1-4-2-3 O=NOBr
State Conformation
1A' CS trans
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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 A' 1723 webbook      
2 A' 836 webbook      
3 A' 587 webbook      
4 A' 391 webbook      
6 A" 150 webbook      

Calculated vibrational frequencies for BrONO (Bromine nitrite).
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 BrONO (Bromine nitrite).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of Bromine nitrite

Point Group Cs

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for BrONO (Bromine nitrite).

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

Connectivity
Atom 1 Atom 2
Br1 O2
O2 N3
N3 O4

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for BrONO (Bromine nitrite).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for BrONO (Bromine nitrite).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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