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Listing of experimental geometry data for BrNO (Nitrosyl bromide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
2.85199 0.12499 0.11962
Rotational Constants from 1994Esp/Tam:313
Calculated rotational constants for BrNO (Nitrosyl bromide).

Point Group Cs

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNBr 2.140 1 2 1970Mil/Mit:2414
rNO 1.146 1 3 1970Mil/Mit:2414
aONBr 114.5 2 1 3 1970Mil/Mit:2414
picture of Nitrosyl bromide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N=O 1
N-Br 1
Atom x (Å) y (Å) z (Å)
N1 0.4844 -1.3473 0.0000
Br2 0.0000 0.7372 0.0000
O3 -0.4238 -2.0462 0.0000

Atom - Atom Distances (Å)
  N1 Br2 O3
N12.14001.1460
Br22.14002.8155
O31.14602.8155

Calculated geometries for BrNO (Nitrosyl bromide).
References
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squib reference DOI
1970Mil/Mit:2414 DJ Millen, D Mitra "Microwave spectrum, structure and nuclear quadrupole coupling coefficients of nitrosyl bromide" Trans. Faraday Soc., 1970, 66, 2414-2419 10.1039/TF9706602414
1994Esp/Tam:313 CD Esposti, F Tamassia, G Cazzoli "Centrifugal Distortion and Hyperfine Structure Analysis of the Millimeter-Wave Spectrum of Nitrosyl Bromide" J. Mol. Spect. 163, 313-325 (1994) 10.1006/jmsp.1994.1028

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